4,4'-difluoro-[1,1'-biphenyl]-3-carboxylic acid

4,4'-difluoro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 164164-26-5

Formula: C13H8F2O2

SMILES: OC(=O)C1=CC(=CC=C1F)C1=CC=C(F)C=C1

IUPAC: 4,4'-difluoro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C13H8F2O2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,(H,16,17)

Composition: C (66.67%), H (3.44%), F (16.22%), O (13.66%)

Molar Mass: 234.202

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.049235824
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QFOLNTPEYOGOJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.88
Topological Polar Surface Area	37.3
Polarizability	22.93
Ring Count	2
Rotatable Bond Count	2

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