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Home > Nitro Compounds > 138294-98-1
138294-98-1 | Benzamide, 3,5-dinitro-N-(2-oxo-2-phenylethyl)-
CAS No: 138294-98-1 Catalog No: AG0018H5 MDL No:
Product Description
Catalog Number:
AG0018H5
Chemical Name:
Benzamide, 3,5-dinitro-N-(2-oxo-2-phenylethyl)-
CAS Number:
138294-98-1
Molecular Formula:
C15H11N3O6
Molecular Weight:
329.2643
IUPAC Name:
3,5-dinitro-N-phenacylbenzamide
InChI:
InChI=1S/C15H11N3O6/c19-14(10-4-2-1-3-5-10)9-16-15(20)11-6-12(17(21)22)8-13(7-11)18(23)24/h1-8H,9H2,(H,16,20)
InChI Key:
GSVUCDLHWYWCDS-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NCC(=O)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.065g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.268g/mol
Monoisotopic Mass:
329.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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