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Home > Nitro Compounds > 14402-00-7
14402-00-7 | Benzamide, 3,5-dinitro-N-(1-phenylethyl)-
CAS No: 14402-00-7 Catalog No: AG001ITF MDL No:
Product Description
Catalog Number:
AG001ITF
Chemical Name:
Benzamide, 3,5-dinitro-N-(1-phenylethyl)-
CAS Number:
14402-00-7
Molecular Formula:
C15H13N3O5
Molecular Weight:
315.2808
IUPAC Name:
3,5-dinitro-N-(1-phenylethyl)benzamide
InChI:
InChI=1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)
InChI Key:
ABEVDCGKLRIYRW-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC(c1ccccc1)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.285g/mol
Monoisotopic Mass:
315.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Photo-response assisted enantiomer separations on an azobenzene-modified gamma-cyclodextrin stationary phase in micro-HPLC. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20020101 |
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