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83662-89-9 | 4-Pyridinecarboxylic acid, 2-chloro-, 1-oxide
CAS No: 83662-89-9 Catalog No: AG004Y1W MDL No:
Product Description
Catalog Number:
AG004Y1W
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-, 1-oxide
CAS Number:
83662-89-9
Molecular Formula:
C6H4ClNO3
Molecular Weight:
173.5539
IUPAC Name:
2-chloro-1-oxidopyridin-1-ium-4-carboxylic acid
InChI:
InChI=1S/C6H4ClNO3/c7-5-3-4(6(9)10)1-2-8(5)11/h1-3H,(H,9,10)
InChI Key:
DTWCIKQUYUWTMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc[n+](c(c1)Cl)[O-]
Properties
Complexity:
164
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:
1
Isotope Atom Count:
0
Molecular Weight:
173.552g/mol
Monoisotopic Mass:
172.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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