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1263280-37-0 | 2-Pyridinecarboxylic acid, 3-chloro-5,6-dihydro-6-oxo-
CAS No: 1263280-37-0 Catalog No: AG000SKW MDL No:MFCD02234757
Product Description
Catalog Number:
AG000SKW
Chemical Name:
2-Pyridinecarboxylic acid, 3-chloro-5,6-dihydro-6-oxo-
CAS Number:
1263280-37-0
Molecular Formula:
C6H4ClNO3
Molecular Weight:
173.5539
MDL Number:
MFCD02234757
IUPAC Name:
3-chloro-6-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4ClNO3/c7-3-1-2-4(9)8-5(3)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:
BTAGJDZXVOQNNP-UHFFFAOYSA-N
SMILES:
O=C1CC=C(C(=N1)C(=O)O)Cl
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:
0.3
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