Organofluorine / Alfa Chemistry
Methyl 4-bromo-3-fluorobenzoate

Methyl 4-bromo-3-fluorobenzoate

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Methyl 4-bromo-3-fluorobenzoate
Catalog OFC849758129
CAS 849758-12-9
Category Fluorinated Esters
Purity 98%
MDL Number MFCD08436044
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C8H6BrFO2
Molecular Weight 233.03
Molar Refractivity 45.38
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.72
MLogP 3.09
SILICOS-IT 2.79
WLogP 2.8
XLogP3 2.57
iLogP 2.34
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor No
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.9 cm/s
P-gp Substrate No
Fraction Csp3 0.12
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

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