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Home > Nitro Compounds > 95589-01-8
95589-01-8 | Benzamide, 3,5-dinitro-N-(1,2,2-trimethylpropyl)-
CAS No: 95589-01-8 Catalog No: AG00H8ZN MDL No:
Product Description
Catalog Number:
AG00H8ZN
Chemical Name:
Benzamide, 3,5-dinitro-N-(1,2,2-trimethylpropyl)-
CAS Number:
95589-01-8
Molecular Formula:
C13H17N3O5
Molecular Weight:
295.2912
IUPAC Name:
N-(3,3-dimethylbutan-2-yl)-3,5-dinitrobenzamide
InChI:
InChI=1S/C13H17N3O5/c1-8(13(2,3)4)14-12(17)9-5-10(15(18)19)7-11(6-9)16(20)21/h5-8H,1-4H3,(H,14,17)
InChI Key:
ODPKGKHBTBMFKD-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.295g/mol
Monoisotopic Mass:
295.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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