Organofluorine / Alfa Chemistry
2-Bromo-1-chloro-4-(trifluoromethoxy)benzene

2-Bromo-1-chloro-4-(trifluoromethoxy)benzene

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2-Bromo-1-chloro-4-(trifluoromethoxy)benzene
Catalog OFC468075005
CAS 468075-00-5
Category Fluorinated Ethers
Purity 98%
MDL Number MFCD06797751
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Chemical Data Computational Chemistry
Molecular Formula C7H3BrClF3O
Molecular Weight 275.45
Molar Refractivity 45.84
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 1.0
Veber 0.0
Consensus LogP 3.9
MLogP 3.59
SILICOS-IT 3.73
WLogP 5.26
XLogP3 4.37
iLogP 2.52
BBB Permeant No
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor Yes
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -4.88 cm/s
P-gp Substrate No
Fraction Csp3 0.14

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