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Home > Nitro Compounds > 90179-04-7
90179-04-7 | Pyridinium, 1-[(4-cyano-2-nitrophenyl)methyl]-, chloride
CAS No: 90179-04-7 Catalog No: AG00H5VD MDL No:
Product Description
Catalog Number:
AG00H5VD
Chemical Name:
Pyridinium, 1-[(4-cyano-2-nitrophenyl)methyl]-, chloride
CAS Number:
90179-04-7
Molecular Formula:
C13H10ClN3O2
Molecular Weight:
275.6904
IUPAC Name:
3-nitro-4-(pyridin-1-ium-1-ylmethyl)benzonitrile;chloride
InChI:
InChI=1S/C13H10N3O2.ClH/c14-9-11-4-5-12(13(8-11)16(17)18)10-15-6-2-1-3-7-15;/h1-8H,10H2;1H/q+1;/p-1
InChI Key:
ZUQFNOTYTBFYHT-UHFFFAOYSA-M
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])C[n+]1ccccc1.[Cl-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.692g/mol
Monoisotopic Mass:
275.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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