Home Carboxys 3-Chloroisoquinoline-6-carboxylic acid

3-Chloroisoquinoline-6-carboxylic acid

CAS No.:
1256794-71-4
Catalog Number:
AG000OCX
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
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Product Description
Catalog Number:
AG000OCX
Chemical Name:
3-Chloroisoquinoline-6-carboxylic acid
CAS Number:
1256794-71-4
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD18260383
IUPAC Name:
3-chloroisoquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-4-8-3-6(10(13)14)1-2-7(8)5-12-9/h1-5H,(H,13,14)
InChI Key:
XYHYBNUDOGWNRA-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)cc(cc2)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  
Properties