2-chloro-6-fluorobenzoic acid

2-chloro-6-fluorobenzoic acid

CAS: 434-75-3

Formula: C7H4ClFO2

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

IUPAC: 2-chloro-6-fluorobenzoic acid

InChI: InChI=1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Composition: C (48.17%), H (2.31%), Cl (20.31%), F (10.88%), O (18.33%)

Molar Mass: 174.56

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.9883852
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XNTIGDVFBDJLTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.34
Topological Polar Surface Area	37.3
Polarizability	14.41
Ring Count	1
Rotatable Bond Count	1

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