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91157-76-5 | Benzamide, N-[2-(1H-imidazol-1-yl)-1-methyl-2-oxoethyl]-3,5-dinitro-
CAS No: 91157-76-5 Catalog No: AG006DW7 MDL No:
Product Description
Catalog Number:
AG006DW7
Chemical Name:
Benzamide, N-[2-(1H-imidazol-1-yl)-1-methyl-2-oxoethyl]-3,5-dinitro-
CAS Number:
91157-76-5
Molecular Formula:
C13H11N5O6
Molecular Weight:
333.2563
IUPAC Name:
N-(1-imidazol-1-yl-1-oxopropan-2-yl)-3,5-dinitrobenzamide
InChI:
InChI=1S/C13H11N5O6/c1-8(13(20)16-3-2-14-7-16)15-12(19)9-4-10(17(21)22)6-11(5-9)18(23)24/h2-8H,1H3,(H,15,19)
InChI Key:
GSMOLWKEIYYCIW-UHFFFAOYSA-N
SMILES:
CC(C(=O)n1cncc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.26g/mol
Monoisotopic Mass:
333.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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