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123695-38-5 | 4-Isoquinolinecarboxylic acid, 3-chloro-
CAS No: 123695-38-5 Catalog No: AG000KY3 MDL No:MFCD13193418
Product Description
Catalog Number:
AG000KY3
Chemical Name:
4-Isoquinolinecarboxylic acid, 3-chloro-
CAS Number:
123695-38-5
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD13193418
IUPAC Name:
3-chloroisoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h1-5H,(H,13,14)
InChI Key:
XVWHFYBDMXNETM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ncc2c1cccc2
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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