Basic information
- Name:
(2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride
- CAS No.:
188416-35-5
- Molecular Structure:
- Formula:
- C16H14Cl2F3N5O
- Molecular Weight:
- 420.22
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Chemistry
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Systematic Name: (2S,3R)-3-(6-chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol hydrochloride
Molecular Formula: C16H13ClF3N5O.HCl
Molecular Weight: 420.22 g/mol
Canonical SMILES: CC(c1c(c(ncn1)Cl)F)C(Cn2cncn2)(c3ccc(cc3F)F)O.Cl
InChI: InChI=1/C16H13ClF3N5O.ClH/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19;/h2-4,6-9,26H,5H2,1H3;1H/t9-,16+;/m1./s1
Product Categories: Intermediatesofvoriconazole
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 76.72
Flash Point: 287 °C
Enthalpy of Vaporization: 87.46 kJ/mol
Boiling Point: 550.9 °C at 760 mmHg
Vapour Pressure of (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride (CAS NO.188416-35-5): 5.69E-13 mmHg at 25 °C
Specification
(2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride (CAS NO.188416-35-5), its Synonyms are (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1- (1H- ; (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol- 1-yl)-2- butanol hydrochloride ; (2R,3S/2S,3R)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol- 1-yl)-2- butanol hydrochloride .
