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14432-16-7 | Pyridine, 2-chloro-4-nitro-, 1-oxide
CAS No: 14432-16-7 Catalog No: AG001JBV MDL No:MFCD00955617
Product Description
Catalog Number:
AG001JBV
Chemical Name:
Pyridine, 2-chloro-4-nitro-, 1-oxide
CAS Number:
14432-16-7
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
MDL Number:
MFCD00955617
IUPAC Name:
2-chloro-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChI Key:
YSTCMHHKDOVZDA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c(c1)Cl)[O-]
EC Number:
238-404-6
NSC Number:
527701
Properties
Complexity:
160
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:
0
Isotope Atom Count:
0
Molecular Weight:
174.54g/mol
Monoisotopic Mass:
173.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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