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91252-28-7 | 4-(BUTAN-2-YL)BENZENE-1-SULFONAMIDE
CAS No: 91252-28-7 Catalog No: AG01B2SM MDL No:MFCD00465200
Product Description
Catalog Number:
AG01B2SM
Chemical Name:
4-(BUTAN-2-YL)BENZENE-1-SULFONAMIDE
CAS Number:
91252-28-7
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD00465200
IUPAC Name:
4-butan-2-ylbenzenesulfonamide
InChI:
InChI=1S/C10H15NO2S/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13/h4-8H,3H2,1-2H3,(H2,11,12,13)
InChI Key:
PFACCVZPKGGBHU-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)S(=O)(=O)N)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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