6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid

6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid

CAS: 724749-61-5

Formula: C17H12ClNO2

SMILES: CC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=C(Cl)C=CC2=N1

IUPAC: 6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C17H12ClNO2/c1-10-3-2-4-11(7-10)16-9-14(17(20)21)13-8-12(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)

Composition: C (68.58%), H (4.06%), Cl (11.91%), N (4.70%), O (10.75%)

Molar Mass: 297.74

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.0556563
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YNSCJHCAYOGRHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.85
Topological Polar Surface Area	50.19
Polarizability	33.88
Ring Count	3
Rotatable Bond Count	2

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