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1263207-80-2 | 7-Isoquinolinecarboxylic acid, 3-chloro-
CAS No: 1263207-80-2 Catalog No: AG000SK5 MDL No:
Product Description
Catalog Number:
AG000SK5
Chemical Name:
7-Isoquinolinecarboxylic acid, 3-chloro-
CAS Number:
1263207-80-2
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
IUPAC Name:
3-chloroisoquinoline-7-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-4-6-1-2-7(10(13)14)3-8(6)5-12-9/h1-5H,(H,13,14)
InChI Key:
ISSVQTMTGFLMQA-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)ccc(c2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.613g/mol
Monoisotopic Mass:
207.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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