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332163-53-8 | N-(4-Bromo-phenyl)-N-(3-nitro-benzyl)-benzamide
CAS No: 332163-53-8 Catalog No: AG01F9XI MDL No:
Product Description
Catalog Number:
AG01F9XI
Chemical Name:
N-(4-Bromo-phenyl)-N-(3-nitro-benzyl)-benzamide
CAS Number:
332163-53-8
Molecular Formula:
C20H15BrN2O3
Molecular Weight:
411.2487
IUPAC Name:
N-(4-bromophenyl)-N-[(3-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C20H15BrN2O3/c21-17-9-11-18(12-10-17)22(20(24)16-6-2-1-3-7-16)14-15-5-4-8-19(13-15)23(25)26/h1-13H,14H2
InChI Key:
SSPROFHTGINKJI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N(C(=O)c1ccccc1)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.027g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.255g/mol
Monoisotopic Mass:
410.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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