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2',4-difluoro-[1,1'-biphenyl]-3-carboxylic acid

2',4-difluoro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1214386-81-8

Formula: C13H8F2O2

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

IUPAC: 2',4-difluoro-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C13H8F2O2/c14-11-4-2-1-3-9(11)8-5-6-12(15)10(7-8)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 YHAAEKUKRQEETK-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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