2-fluoro-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

2-fluoro-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1261591-90-5

Formula: C14H8F4O3

SMILES: OC(=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1OC(F)(F)F

IUPAC: 2-fluoro-2'-(trifluoromethoxy)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C14H8F4O3/c15-11-7-8(13(19)20)5-6-9(11)10-3-1-2-4-12(10)21-14(16,17)18/h1-7H,(H,19,20)

Composition: C (56.01%), H (2.69%), F (25.31%), O (15.99%)

Molar Mass: 300.209

Atom Count: 29

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.04095677
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PFHLHRKORORKAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.74
Topological Polar Surface Area	46.53
Polarizability	25.17
Ring Count	2
Rotatable Bond Count	4

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