2',3,5-trifluoro-4'-(4-propylphenyl)-[1,1'-biphenyl]-4-carboxylic acid

2',3,5-trifluoro-4'-(4-propylphenyl)-[1,1'-biphenyl]-4-carboxylic acid

CAS: 1195821-09-0

Formula: C22H17F3O2

SMILES: CCCC1=CC=C(C=C1)C1=CC=C(C(F)=C1)C1=CC(F)=C(C(O)=O)C(F)=C1

IUPAC: 2',3,5-trifluoro-4'-(4-propylphenyl)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C22H17F3O2/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(22(26)27)20(25)12-16/h4-12H,2-3H2,1H3,(H,26,27)

Composition: C (71.35%), H (4.63%), F (15.39%), O (8.64%)

Molar Mass: 370.371

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	370.118064276
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VJJGOAJTDWSDMB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	98.48
Topological Polar Surface Area	37.3
Polarizability	38.94
Ring Count	3
Rotatable Bond Count	5

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