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(2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol

(2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol structure

CAS No:
107680-24-0
Formula:
C21H23ClFN3O2
Chemical Name:
(2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol

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(2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol Basic Attributes

Molecular Weight：

403.87800

Exact Mass：

403.1462828

Characteristics

PSA：

71.17000

XLogP3：

4.03640

Density：

1.25g/cm3

Boiling Point：

603.3ºC

Flash Point：

318.6ºC

Refractive Index：

1.591

Vapor Pressure：

2.1E-15mmHg at 25°C

Computed Properties

Molecular Weight:403.9
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:403.1462828
Monoisotopic Mass:403.1462828
Topological Polar Surface Area:71.2
Heavy Atom Count:28
Complexity:494
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol

Basic Attributes
Characteristics
Computed Properties

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