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329281-02-9 | N-(4-Bromo-2-hydroxymethyl-phenyl)-4-methyl-benzenesulfonamide
CAS No: 329281-02-9 Catalog No: AG01F6BP MDL No:
Product Description
Catalog Number:
AG01F6BP
Chemical Name:
N-(4-Bromo-2-hydroxymethyl-phenyl)-4-methyl-benzenesulfonamide
CAS Number:
329281-02-9
Molecular Formula:
C14H14BrNO3S
Molecular Weight:
356.2349
IUPAC Name:
N-[4-bromo-2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C14H14BrNO3S/c1-10-2-5-13(6-3-10)20(18,19)16-14-7-4-12(15)8-11(14)9-17/h2-8,16-17H,9H2,1H3
InChI Key:
YSPXTORKOBVQBH-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)ccc1NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.988g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.234g/mol
Monoisotopic Mass:
354.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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