4-chloro-6-methoxyquinoline-3-carbonitrile

4-chloro-6-methoxyquinoline-3-carbonitrile

CAS: 13669-62-0

Formula: C11H7ClN2O

SMILES: COC1=CC2=C(Cl)C(=CN=C2C=C1)C#N

IUPAC: 4-chloro-6-methoxyquinoline-3-carbonitrile

InChI: InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3

Composition: C (60.43%), H (3.23%), Cl (16.21%), N (12.81%), O (7.32%)

Molar Mass: 218.64

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.0246906
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VIKNILFXAQPQEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.97
Topological Polar Surface Area	45.91
Polarizability	23.18
Ring Count	2
Rotatable Bond Count	1

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