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332163-35-6 | N-(4-Bromo-phenyl)-4-nitro-N-(3-nitro-benzyl)-benzamide
CAS No: 332163-35-6 Catalog No: AG01F7TU MDL No:
Product Description
Catalog Number:
AG01F7TU
Chemical Name:
N-(4-Bromo-phenyl)-4-nitro-N-(3-nitro-benzyl)-benzamide
CAS Number:
332163-35-6
Molecular Formula:
C20H14BrN3O5
Molecular Weight:
456.2463
IUPAC Name:
N-(4-bromophenyl)-4-nitro-N-[(3-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C20H14BrN3O5/c21-16-6-10-17(11-7-16)22(13-14-2-1-3-19(12-14)24(28)29)20(25)15-4-8-18(9-5-15)23(26)27/h1-12H,13H2
InChI Key:
LWTPGKXBXIGFAR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.012g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.252g/mol
Monoisotopic Mass:
455.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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