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Home > Nitro Compounds > 857495-45-5
857495-45-5 | 1-benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 857495-45-5 Catalog No: AG00JHE6 MDL No:MFCD06668181
Product Description
Catalog Number:
AG00JHE6
Chemical Name:
1-benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
857495-45-5
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
MDL Number:
MFCD06668181
IUPAC Name:
1-benzyl-4,6-dimethyl-5-nitro-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C15H13N3O3/c1-10-13(8-16)15(19)17(11(2)14(10)18(20)21)9-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3
InChI Key:
BELBWKNCFPUZDP-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)n(Cc2ccccc2)c(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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