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444152-43-6 | 4-Bromo-N-(4-nitro-benzyl)-N-phenyl-benzamide
CAS No: 444152-43-6 Catalog No: AG01EVZW MDL No:
Product Description
Catalog Number:
AG01EVZW
Chemical Name:
4-Bromo-N-(4-nitro-benzyl)-N-phenyl-benzamide
CAS Number:
444152-43-6
Molecular Formula:
C20H15BrN2O3
Molecular Weight:
411.2487
IUPAC Name:
4-bromo-N-[(4-nitrophenyl)methyl]-N-phenylbenzamide
InChI:
InChI=1S/C20H15BrN2O3/c21-17-10-8-16(9-11-17)20(24)22(18-4-2-1-3-5-18)14-15-6-12-19(13-7-15)23(25)26/h1-13H,14H2
InChI Key:
IHSOASWEKKUITN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)N(c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
474
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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