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7-chloro-2-methylquinoline-4-carboxylic acid

7-chloro-2-methylquinoline-4-carboxylic acid

CAS: 59666-15-8

Formula: C11H8ClNO2

SMILES: CC1=NC2=CC(Cl)=CC=C2C(=C1)C(O)=O

IUPAC: 7-chloro-2-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)

Composition: C (59.61%), H (3.64%), Cl (15.99%), N (6.32%), O (14.44%)

Molar Mass: 221.64

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.0243562
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WOONUCDWZWZHGF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.63
Topological Polar Surface Area 50.19
Polarizability 22.9
Ring Count 2
Rotatable Bond Count 1

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