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849996-80-1 | 2-Chloroquinoline-6-carboxylic acid
CAS No: 849996-80-1 Catalog No: AG0050XU MDL No:MFCD09730432
Product Description
Catalog Number:
AG0050XU
Chemical Name:
2-Chloroquinoline-6-carboxylic acid
CAS Number:
849996-80-1
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD09730432
IUPAC Name:
2-chloroquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-4-2-6-5-7(10(13)14)1-3-8(6)12-9/h1-5H,(H,13,14)
InChI Key:
RHQOQVWVODTTSD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)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:
2.2
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