Organofluorine / Alfa Chemistry
3-Nitro-4-(trifluoromethoxy)bromobenzene

3-Nitro-4-(trifluoromethoxy)bromobenzene

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3-Nitro-4-(trifluoromethoxy)bromobenzene
Catalog OFC95668205-2
CAS 95668-20-5
Category Fluorinated Ethers
Purity 97%
MDL Number MFCD04039243
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C7H3BrF3NO3
Molecular Weight 286.00
Molar Refractivity 49.65
Bioavailability Score 0.55
Egan 0.0
Ghose None
Lipinski 0.0
Muegge 0.0
Veber 0.0
Consensus LogP 2.74
MLogP 2.64
SILICOS-IT 1.01
WLogP 4.52
XLogP3 3.62
iLogP 1.93
BBB Permeant Yes
CYP1A2 Inhibitor Yes
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor No
CYP2D6 Inhibitor No
CYP3A4 Inhibitor No
GI Absorption High
LogKp -5.47 cm/s
P-gp Substrate No
Fraction Csp3 0.14
GHS Pictogram GHS07
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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