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181123-11-5 | 2-Pyridinecarbonitrile, 5-chloro-3-nitro-
CAS No: 181123-11-5 Catalog No: AG0022P1 MDL No:MFCD06657552
Product Description
Catalog Number:
AG0022P1
Chemical Name:
2-Pyridinecarbonitrile, 5-chloro-3-nitro-
CAS Number:
181123-11-5
Molecular Formula:
C6H2ClN3O2
Molecular Weight:
183.5520
MDL Number:
MFCD06657552
IUPAC Name:
5-chloro-3-nitropyridine-2-carbonitrile
InChI:
InChI=1S/C6H2ClN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H
InChI Key:
UFTRTPYMNGYVGO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)cnc1C#N
NSC Number:
141226
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.551g/mol
Monoisotopic Mass:
182.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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