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3',5-difluoro-[1,1'-biphenyl]-3-carboxylic acid

3',5-difluoro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1214352-53-0

Formula: C13H8F2O2

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

IUPAC: 3',5-difluoro-[1,1'-biphenyl]-3-carboxylic acid

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