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76653-16-2 | 2-phenylpropane-1-sulfonamide
CAS No: 76653-16-2 Catalog No: AG019ZFP MDL No:MFCD16672062
Product Description
Catalog Number:
AG019ZFP
Chemical Name:
2-phenylpropane-1-sulfonamide
CAS Number:
76653-16-2
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD16672062
IUPAC Name:
2-phenylpropane-1-sulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)
InChI Key:
HXLOQIXEAPZOSG-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CS(=O)(=O)N
Properties
Complexity:
237
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:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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