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Home > Nitro Compounds > 867017-41-2
867017-41-2 | Benzamide, N-(4,6-dimethyl-2-pyrimidinyl)-4-nitroso-
CAS No: 867017-41-2 Catalog No: AG004KJJ MDL No:
Product Description
Catalog Number:
AG004KJJ
Chemical Name:
Benzamide, N-(4,6-dimethyl-2-pyrimidinyl)-4-nitroso-
CAS Number:
867017-41-2
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-nitrosobenzamide
InChI:
InChI=1S/C13H12N4O2/c1-8-7-9(2)15-13(14-8)16-12(18)10-3-5-11(17-19)6-4-10/h3-7H,1-2H3,(H,14,15,16,18)
InChI Key:
JOIQMCLVBFUUJO-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)C(=O)Nc1nc(C)cc(n1)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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