4-bromo-2-chloro-6-fluorobenzoic acid

4-bromo-2-chloro-6-fluorobenzoic acid

CAS: 1321613-01-7

Formula: C7H3BrClFO2

SMILES: OC(=O)C1=C(F)C=C(Br)C=C1Cl

IUPAC: 4-bromo-2-chloro-6-fluorobenzoic acid

InChI: InChI=1S/C7H3BrClFO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

Composition: C (33.17%), H (1.19%), Br (31.53%), Cl (13.99%), F (7.50%), O (12.62%)

Molar Mass: 253.45

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.898898
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DKMRNJAOJFCMPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.96
Topological Polar Surface Area	37.3
Polarizability	17.53
Ring Count	1
Rotatable Bond Count	1

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