Organofluorine / Alfa Chemistry
4-Chloro-3-(trifluoromethyl)benzonitrile

4-Chloro-3-(trifluoromethyl)benzonitrile

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4-Chloro-3-(trifluoromethyl)benzonitrile
Catalog OFC1735542
CAS 1735-54-2
Category Fluorinated Nitriles
Purity 98%
MDL Number MFCD00190117
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C8H3ClF3N
Molecular Weight 205.56
Molar Refractivity 41.17
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 1.0
Veber 0.0
Consensus LogP 3.35
MLogP 3.08
SILICOS-IT 3.46
WLogP 4.38
XLogP3 3.87
iLogP 1.93
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -4.81 cm/s
P-gp Substrate No
Fraction Csp3 0.12
GHS Pictogram GHS06
Hazard Statements H301-H315-H319
Packing Group
Precautionary Statements P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405

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