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

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

CAS: 1261930-96-4

Formula: C15H9F3O4

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

IUPAC: 5-(trifluoromethyl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

InChI: InChI=1S/C15H9F3O4/c16-15(17,18)12-6-10(5-11(7-12)14(21)22)8-2-1-3-9(4-8)13(19)20/h1-7H,(H,19,20)(H,21,22)

Composition: C (58.07%), H (2.92%), F (18.37%), O (20.63%)

Molar Mass: 310.228

Atom Count: 31

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	310.045293259
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JWRDOJUKPATJKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.68
Topological Polar Surface Area	74.6
Polarizability	27.06
Ring Count	2
Rotatable Bond Count	4

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