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Home > Nitro Compounds > 68871-93-2
68871-93-2 | Benzamide, N-(acetyloxy)-N-(1,1-dimethylethyl)-3,5-dinitro-
CAS No: 68871-93-2 Catalog No: AG006GH6 MDL No:
Product Description
Catalog Number:
AG006GH6
Chemical Name:
Benzamide, N-(acetyloxy)-N-(1,1-dimethylethyl)-3,5-dinitro-
CAS Number:
68871-93-2
Molecular Formula:
C13H15N3O7
Molecular Weight:
325.2741
IUPAC Name:
[tert-butyl-(3,5-dinitrobenzoyl)amino] acetate
InChI:
InChI=1S/C13H15N3O7/c1-8(17)23-14(13(2,3)4)12(18)9-5-10(15(19)20)7-11(6-9)16(21)22/h5-7H,1-4H3
InChI Key:
SHSVORGCZHMVSE-UHFFFAOYSA-N
SMILES:
CC(=O)ON(C(C)(C)C)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.277g/mol
Monoisotopic Mass:
325.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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