3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

CAS: 168619-05-4

Formula: C14H9F3O2

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

IUPAC: 3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H9F3O2/c15-14(16,17)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(18)19/h1-8H,(H,18,19)

Composition: C (63.16%), H (3.41%), F (21.41%), O (12.02%)

Molar Mass: 266.219

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.055464019
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HCHDDXZTEVLXTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.42
Topological Polar Surface Area	37.3
Polarizability	24.59
Ring Count	2
Rotatable Bond Count	3

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