2-bromo-4,5-difluorobenzoic acid

2-bromo-4,5-difluorobenzoic acid

CAS: 64695-84-7

Formula: C7H3BrF2O2

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

IUPAC: 2-bromo-4,5-difluorobenzoic acid

InChI: InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

Composition: C (35.48%), H (1.28%), Br (33.71%), F (16.03%), O (13.50%)

Molar Mass: 237

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.928449
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DGCBGBZYTNTZJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.37
Topological Polar Surface Area	37.3
Polarizability	15.45
Ring Count	1
Rotatable Bond Count	1

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