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13337-66-1 | 4-Quinolinecarboxylic acid, 7-chloro-
CAS No: 13337-66-1 Catalog No: AG0014RE MDL No:MFCD00034451
Product Description
Catalog Number:
AG0014RE
Chemical Name:
4-Quinolinecarboxylic acid, 7-chloro-
CAS Number:
13337-66-1
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD00034451
IUPAC Name:
7-chloroquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
InChI Key:
TXYVRYRRTQYTHJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2C(=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:
2.5
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