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methyl 3-chloroisoquinoline-7-carboxylate

methyl 3-chloroisoquinoline-7-carboxylate

Formula: C11H8ClNO2

SMILES: COC(=O)C1=CC2=CN=C(Cl)C=C2C=C1

IUPAC: methyl 3-chloroisoquinoline-7-carboxylate

InChI: InChI=1S/C11H8ClNO2/c1-15-11(14)8-3-2-7-5-10(12)13-6-9(7)4-8/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 ZBUNATVELTUCEY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.24
Topological Polar Surface Area 39.19
Polarizability 23.29
Ring Count 2
Rotatable Bond Count 2

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98% <10 Days C11H8ClNO2 Quote Only
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