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7-chloroisoquinoline-3-carboxylic acid

7-chloroisoquinoline-3-carboxylic acid

CAS: 234098-55-6

Formula: C10H6ClNO2

SMILES: OC(=O)C1=NC=C2C=C(Cl)C=CC2=C1

IUPAC: 7-chloroisoquinoline-3-carboxylic acid

InChI: InChI=1S/C10H6ClNO2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-5H,(H,13,14)

Composition: C (57.85%), H (2.91%), Cl (17.08%), N (6.75%), O (15.41%)

Molar Mass: 207.61

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 207.0087061
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HIXONRGTPXMCCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.04
Topological Polar Surface Area 50.19
Polarizability 21.14
Ring Count 2
Rotatable Bond Count 1

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