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Home > Nitro Compounds > 89804-90-0
89804-90-0 | Benzamide, 5-methyl-2-nitro-N-1-piperidinyl-
CAS No: 89804-90-0 Catalog No: AG003Z0D MDL No:
Product Description
Catalog Number:
AG003Z0D
Chemical Name:
Benzamide, 5-methyl-2-nitro-N-1-piperidinyl-
CAS Number:
89804-90-0
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
5-methyl-2-nitro-N-piperidin-1-ylbenzamide
InChI:
InChI=1S/C13H17N3O3/c1-10-5-6-12(16(18)19)11(9-10)13(17)14-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChI Key:
OQRBAQOCSGETJK-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)ccc1[N+](=O)[O-])NN1CCCCC1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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