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165547-79-5 | 2(1H)-Pyridinone, 4-chloro-3-nitro-
CAS No: 165547-79-5 Catalog No: AG001W7P MDL No:MFCD03093067
Product Description
Catalog Number:
AG001W7P
Chemical Name:
2(1H)-Pyridinone, 4-chloro-3-nitro-
CAS Number:
165547-79-5
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
MDL Number:
MFCD03093067
IUPAC Name:
4-chloro-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C5H3ClN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChI Key:
UKIZCTHOMJXNIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cc[nH]c1=O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.983g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.54g/mol
Monoisotopic Mass:
173.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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