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methyl 2-chloroquinoline-3-carboxylate

methyl 2-chloroquinoline-3-carboxylate

CAS: 16498-85-4

Formula: C11H8ClNO2

SMILES: COC(=O)C1=CC2=CC=CC=C2N=C1Cl

IUPAC: methyl 2-chloroquinoline-3-carboxylate

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

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 2
Hydrogen Bond Donor Count 0
InChIKey OVPJNOFBMQEIGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.87
Topological Polar Surface Area 39.19
Polarizability 23.31
Ring Count 2
Rotatable Bond Count 2

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