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5-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

5-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

CAS: 1881295-62-0

Formula: C8H3BrF4O2

SMILES: OC(=O)C1=C(F)C(=CC(Br)=C1)C(F)(F)F

IUPAC: 5-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H3BrF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15)

Composition: C (33.48%), H (1.05%), Br (27.84%), F (26.48%), O (11.15%)

Molar Mass: 287.008

Atom Count: 18

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.925255
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZVMUBRDZSCXJKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.13
Topological Polar Surface Area 37.3
Polarizability 17.24
Ring Count 1
Rotatable Bond Count 2

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98% <5 Days 1881295-62-0 $99.62-$366.95$99.62$119.80$366.95
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