(1E,3S)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol | CAS No. 83657-19-6

(1E,3S)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol

Basic Information

CAS Number

83657-19-6

Molecular Formula

C15H17Cl2N3O

Molecular Weight

326.23 g/mol

AD

Basic Physical Properties

Melting Point

160-161°

Boiling Point

501.1°C at 760 mmHg

Density

1.27

Flash Point

256.8°C

Refractive Index

1.592

Specific Rotation

D24 +26° (c = 1 in CHCl3)

CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O

InChI

InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m1/s1

InChIKey

FBOUIAKEJMZPQG-YGLIYXGISA-N

LogP

3.990000000000003

Topological Polar Surface Area

50.94 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

384

Synonyms & References

English

  • (S)-S-3308
  • Diniconazole(+)-form
  • DINICONAZOLE (+)-FORM [MI]
  • 83657-19-6
  • S-(+)-diniconazole
  • Diniconazole (+)-form
  • UNII-HZM0U4P0K9
  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (S-(E))-
  • CHEBI:83906
  • (E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • (1E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
  • Q27157323
  • 1H-1,2,4-TRIAZOLE-1-ETHANOL, .BETA.-((2,4-DICHLOROPHENYL)METHYLENE)-.ALPHA.-(1,1-DIMETHYLETHYL)-, (.ALPHA.S,.BETA.E)-
  • (E)-(+)-1-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL)-4,4-DIMETHYL-1-PENTEN-3-OL
  • DTXSID50273969
  • (S)-Diniconazole
  • (+)-diniconazole
  • DINICONAZOLE, (+)-
  • HZM0U4P0K9
  • (E,3S)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

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