4-Isoquinolinecarboxylic acid, 3-chloro-


Chemical Name: 4-Isoquinolinecarboxylic acid, 3-chloro-
CAS Number: 123695-38-5
Product Number: AG000KY3(AGN-PC-001TVD)
Synonyms:
MDL No:
Molecular Formula: C10H6ClNO2
Molecular Weight: 207.6131

Identification/Properties


Computed Properties
Molecular Weight:
207.613g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
207.009g/mol
Monoisotopic Mass:
207.009g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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