2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid

2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid

CAS: 174636-93-2

Formula: C16H9Cl2NO2

SMILES: OC(=O)C1=C2C=CC=CC2=NC(=C1)C1=C(Cl)C=C(Cl)C=C1

IUPAC: 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C16H9Cl2NO2/c17-9-5-6-11(13(18)7-9)15-8-12(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21)

Composition: C (60.40%), H (2.85%), Cl (22.28%), N (4.40%), O (10.06%)

Molar Mass: 318.15

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	317.0010339
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BMLWDSDCNDDYFE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.61
Topological Polar Surface Area	50.19
Polarizability	33.96
Ring Count	3
Rotatable Bond Count	2

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