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(1S,2R)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol | CAS No. 82200-72-4

(1S,2R)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Basic Information

Chemical_Structure_Of

CAS Number

82200-72-4

Molecular Formula

C14H18ClN3O2

Molecular Weight

295.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1

InChIKey

BAZVSMNPJJMILC-STQMWFEESA-N

LogP

2.9161000000000015

Topological Polar Surface Area

60.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

303

Synonyms & References

English

Triadimenol isomer A
Triadimenol I
PL415E9UMN
(1RS,2SR)-Triadimenol
(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
82200-72-4
1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (R*,S*)-(+-)-
1H-1,2,4-TRIAZOLE-1-ETHANOL, .BETA.-(4-CHLOROPHENOXY)-.ALPHA.-(1,1-DIMETHYLETHYL)-, (.ALPHA.R,.BETA.S)-REL-
Q27286610
SCHEMBL747395
1H-1,2,4-TRIAZOLE-1-ETHANOL, .BETA.-(4-CHLOROPHENOXY)-.ALPHA.-(1,1-DIMETHYLETHYL)-, (R*,S*)-
89482-17-7
(?R,?S)-rel-?-(4-Chlorophenoxy)-?-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; (R*,S*)-?-(4-Chlorophenoxy)-?-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; (1RS,2SR)-Triadimenol; Triadimenol A; Triadimenol I; erythro-Triadimenol
1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (R*,S*)-
70585-35-2
DTXSID101044618
erythro-Triadimenol
Triadimenol, erythro-
1H-1,2,4-Triazole-1-ethanol, ?-(4-chlorophenoxy)-.alpha.-(1,1-dimethylethyl)-, (.alpha.R,.beta.S)-
UNII-PL415E9UMN
DTXSID20904096
NS00073845
(1s,2r)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol
Triadimenol A
89497-66-5
1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaS)-rel-
(alphaR,betaS)-beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Triadimenol B

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Teda Group

CAS Number: 82200-72-4