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886493-98-7 | N-[2-(2-Bromo-acetyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS No: 886493-98-7 Catalog No: AG01F4WG MDL No:
Product Description
Catalog Number:
AG01F4WG
Chemical Name:
N-[2-(2-Bromo-acetyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
886493-98-7
Molecular Formula:
C17H18BrNO5S
Molecular Weight:
428.2975
IUPAC Name:
N-[2-(2-bromoacetyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H18BrNO5S/c1-11-4-6-12(7-5-11)25(21,22)19-14-9-17(24-3)16(23-2)8-13(14)15(20)10-18/h4-9,19H,10H2,1-3H3
InChI Key:
OIXWABHJNKOSCH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C)OC
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.009g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.297g/mol
Monoisotopic Mass:
427.009g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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