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332163-37-8 | N-(4-Bromo-phenyl)-2-chloro-N-(3-nitro-benzyl)-benzamide
CAS No: 332163-37-8 Catalog No: AG01F7KY MDL No:
Product Description
Catalog Number:
AG01F7KY
Chemical Name:
N-(4-Bromo-phenyl)-2-chloro-N-(3-nitro-benzyl)-benzamide
CAS Number:
332163-37-8
Molecular Formula:
C20H14BrClN2O3
Molecular Weight:
445.6938
IUPAC Name:
N-(4-bromophenyl)-2-chloro-N-[(3-nitrophenyl)methyl]benzamide
InChI:
InChI=1S/C20H14BrClN2O3/c21-15-8-10-16(11-9-15)23(20(25)18-6-1-2-7-19(18)22)13-14-4-3-5-17(12-14)24(26)27/h1-12H,13H2
InChI Key:
FYKHBAHAOBZJGP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N(C(=O)c1ccccc1Cl)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
522
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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