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332128-52-6 | N-(4-Bromo-phenyl)-N-(4-chloro-benzyl)-4-nitro-benzamide
CAS No: 332128-52-6 Catalog No: AG01F7KW MDL No:
Product Description
Catalog Number:
AG01F7KW
Chemical Name:
N-(4-Bromo-phenyl)-N-(4-chloro-benzyl)-4-nitro-benzamide
CAS Number:
332128-52-6
Molecular Formula:
C20H14BrClN2O3
Molecular Weight:
445.6938
IUPAC Name:
N-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
InChI:
InChI=1S/C20H14BrClN2O3/c21-16-5-11-18(12-6-16)23(13-14-1-7-17(22)8-2-14)20(25)15-3-9-19(10-4-15)24(26)27/h1-12H,13H2
InChI Key:
ZVSSPOMBXDGEMG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)Cl
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.988g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.697g/mol
Monoisotopic Mass:
443.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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