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1156-18-9 | Benzenesulfonamide, 4-bromo-N-[(4-bromophenyl)sulfonyl]-
CAS No: 1156-18-9 Catalog No: AG000G8Y MDL No:
Product Description
Catalog Number:
AG000G8Y
Chemical Name:
Benzenesulfonamide, 4-bromo-N-[(4-bromophenyl)sulfonyl]-
CAS Number:
1156-18-9
Molecular Formula:
C12H9Br2NO4S2
Molecular Weight:
455.1422
IUPAC Name:
4-bromo-N-(4-bromophenyl)sulfonylbenzenesulfonamide
InChI:
InChI=1S/C12H9Br2NO4S2/c13-9-1-5-11(6-2-9)20(16,17)15-21(18,19)12-7-3-10(14)4-8-12/h1-8,15H
InChI Key:
ORKCAYKSEGVWRI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.832g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.135g/mol
Monoisotopic Mass:
452.834g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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