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15733-82-1 | 2-Quinolinecarboxylic acid, 4-chloro-
CAS No: 15733-82-1 Catalog No: AG001PEM MDL No:MFCD06810522
Product Description
Catalog Number:
AG001PEM
Chemical Name:
2-Quinolinecarboxylic acid, 4-chloro-
CAS Number:
15733-82-1
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD06810522
IUPAC Name:
4-chloroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)
InChI Key:
XDHVXNYIJMSNIQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c2c(n1)cccc2
NSC Number:
136919
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:
2.7
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