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Home > Nitro Compounds > 95319-97-4
95319-97-4 | 4-ACETAMIDO-N,N-DIBENZYL-3-NITROBENZAMIDE
CAS No: 95319-97-4 Catalog No: AG005SDX MDL No:
Product Description
Catalog Number:
AG005SDX
Chemical Name:
4-ACETAMIDO-N,N-DIBENZYL-3-NITROBENZAMIDE
CAS Number:
95319-97-4
Molecular Formula:
C23H21N3O4
Molecular Weight:
403.4305
IUPAC Name:
4-acetamido-N,N-dibenzyl-3-nitrobenzamide
InChI:
InChI=1S/C23H21N3O4/c1-17(27)24-21-13-12-20(14-22(21)26(29)30)23(28)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,27)
InChI Key:
VWNUTUPMNUMFOK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.153g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.438g/mol
Monoisotopic Mass:
403.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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