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123045-56-7 | Benzenesulfonamide, 3-(1-methylethyl)-
CAS No: 123045-56-7 Catalog No: AG000K0P MDL No:MFCD11650799
Product Description
Catalog Number:
AG000K0P
Chemical Name:
Benzenesulfonamide, 3-(1-methylethyl)-
CAS Number:
123045-56-7
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD11650799
IUPAC Name:
3-propan-2-ylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChI Key:
BNWXZHIYRPWHDT-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)S(=O)(=O)N)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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