3'-chloro-[1,1'-biphenyl]-3-carboxylic acid

3'-chloro-[1,1'-biphenyl]-3-carboxylic acid

CAS: 168619-06-5

Formula: C13H9ClO2

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

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

InChI: InChI=1S/C13H9ClO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)

Composition: C (67.11%), H (3.90%), Cl (15.24%), O (13.75%)

Molar Mass: 232.66

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.0291072
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CUYOMAWUBKMNDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.26
Topological Polar Surface Area	37.3
Polarizability	25.46
Ring Count	2
Rotatable Bond Count	2

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