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332163-55-0

332163-55-0 | N-(4-Bromo-phenyl)-4-chloro-N-(3-nitro-benzyl)-benzamide

CAS No: 332163-55-0 Catalog No: AG01F7L0 MDL No:

Product Description

Catalog Number:
AG01F7L0
Chemical Name:
N-(4-Bromo-phenyl)-4-chloro-N-(3-nitro-benzyl)-benzamide
CAS Number:
332163-55-0
Molecular Formula:
C20H14BrClN2O3
Molecular Weight:
445.6938
IUPAC Name:
N-(4-bromophenyl)-4-chloro-N-[(3-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C20H14BrClN2O3/c21-16-6-10-18(11-7-16)23(20(25)15-4-8-17(22)9-5-15)13-14-2-1-3-19(12-14)24(26)27/h1-12H,13H2
InChI Key:
NWBDGQOAQNRJMS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cccc(c1)[N+](=O)[O-]

Properties

Complexity:
514  
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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