7-chloroquinoline-4-carboxylic acid

7-chloroquinoline-4-carboxylic acid

CAS: 13337-66-1

Formula: C10H6ClNO2

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

IUPAC: 7-chloroquinoline-4-carboxylic acid

InChI: InChI=1S/C10H6ClNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)

Composition: C (57.85%), H (2.91%), Cl (17.08%), N (6.75%), O (15.41%)

Molar Mass: 207.61

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	207.0087061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TXYVRYRRTQYTHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.04
Topological Polar Surface Area	50.19
Polarizability	21.14
Ring Count	2
Rotatable Bond Count	1

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