2-chloro-4,6-bis(trifluoromethyl)benzoic acid

2-chloro-4,6-bis(trifluoromethyl)benzoic acid

CAS: 916420-47-8

Formula: C9H3ClF6O2

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

IUPAC: 2-chloro-4,6-bis(trifluoromethyl)benzoic acid

InChI: InChI=1S/C9H3ClF6O2/c10-5-2-3(8(11,12)13)1-4(9(14,15)16)6(5)7(17)18/h1-2H,(H,17,18)

Composition: C (36.95%), H (1.03%), Cl (12.12%), F (38.96%), O (10.94%)

Molar Mass: 292.56

Atom Count: 21

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.972576
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MXHOYUZOOIMVGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.07
Topological Polar Surface Area	37.3
Polarizability	17.82
Ring Count	1
Rotatable Bond Count	3

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