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332156-42-0 | 4-Bromo-N-(4-nitro-benzyl)-N-p-tolyl-benzenesulfonamide
CAS No: 332156-42-0 Catalog No: AG01F7TT MDL No:
Product Description
Catalog Number:
AG01F7TT
Chemical Name:
4-Bromo-N-(4-nitro-benzyl)-N-p-tolyl-benzenesulfonamide
CAS Number:
332156-42-0
Molecular Formula:
C20H17BrN2O4S
Molecular Weight:
461.3290
IUPAC Name:
4-bromo-N-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
InChI:
InChI=1S/C20H17BrN2O4S/c1-15-2-8-18(9-3-15)22(14-16-4-10-19(11-5-16)23(24)25)28(26,27)20-12-6-17(21)7-13-20/h2-13H,14H2,1H3
InChI Key:
ZLGZDJLTGIDKGI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)Br)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.009g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.33g/mol
Monoisotopic Mass:
460.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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