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38076-80-1 | 5-Chloro-2-hydroxynicotinic acid
CAS No: 38076-80-1 Catalog No: AG003MMV MDL No:MFCD00204158
Product Description
Catalog Number:
AG003MMV
Chemical Name:
5-Chloro-2-hydroxynicotinic acid
CAS Number:
38076-80-1
Molecular Formula:
C6H4ClNO3
Molecular Weight:
173.5539
MDL Number:
MFCD00204158
IUPAC Name:
5-chloro-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
InChI Key:
XBHXNMLFJZTSAS-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)C(=O)O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.988g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.552g/mol
Monoisotopic Mass:
172.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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