2-chloro-6-(trifluoromethyl)benzoic acid

2-chloro-6-(trifluoromethyl)benzoic acid

CAS: 2376-00-3

Formula: C8H4ClF3O2

SMILES: OC(=O)C1=C(Cl)C=CC=C1C(F)(F)F

IUPAC: 2-chloro-6-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)

Composition: C (42.79%), H (1.80%), Cl (15.79%), F (25.38%), O (14.25%)

Molar Mass: 224.56

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.9851916
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OHWGZCNPFKBCDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.09
Topological Polar Surface Area	37.3
Polarizability	16.06
Ring Count	1
Rotatable Bond Count	2

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