3-bromo-4,5-difluorobenzoic acid

3-bromo-4,5-difluorobenzoic acid

CAS: 1244642-73-6

Formula: C7H3BrF2O2

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

IUPAC: 3-bromo-4,5-difluorobenzoic acid

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