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methyl 1,3-dichloroisoquinoline-6-carboxylate

methyl 1,3-dichloroisoquinoline-6-carboxylate

Formula: C11H7Cl2NO2

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

IUPAC: methyl 1,3-dichloroisoquinoline-6-carboxylate

InChI: InChI=1S/C11H7Cl2NO2/c1-16-11(15)6-2-3-8-7(4-6)5-9(12)14-10(8)13/h2-5H,1H3

Composition: C (51.59%), H (2.76%), Cl (27.69%), N (5.47%), O (12.50%)

Molar Mass: 256.08

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.9853839
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DYFVNCAXJKWGHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.11
Topological Polar Surface Area 39.19
Polarizability 25.25
Ring Count 2
Rotatable Bond Count 2

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98% <10 Days C11H7Cl2NO2 Quote Only
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