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145004-92-8 | [1,1'-Biphenyl]-2-sulfonamide, 4'-(bromomethyl)-N-(1,1-dimethylethoxy)-
CAS No: 145004-92-8 Catalog No: AG001KGO MDL No:
Product Description
Catalog Number:
AG001KGO
Chemical Name:
[1,1'-Biphenyl]-2-sulfonamide, 4'-(bromomethyl)-N-(1,1-dimethylethoxy)-
CAS Number:
145004-92-8
Molecular Formula:
C17H20BrNO3S
Molecular Weight:
398.3146
IUPAC Name:
2-[4-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
InChI:
InChI=1S/C17H20BrNO3S/c1-17(2,3)22-19-23(20,21)16-7-5-4-6-15(16)14-10-8-13(12-18)9-11-14/h4-11,19H,12H2,1-3H3
InChI Key:
MIAQFTDWFRYIHU-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1S(=O)(=O)NOC(C)(C)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.035g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.315g/mol
Monoisotopic Mass:
397.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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