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1003740-72-4 | Benzenesulfonamide, 3-cyano-N-(1-methylethyl)-
CAS No: 1003740-72-4 Catalog No: AG0001T3 MDL No:MFCD12406106
Product Description
Catalog Number:
AG0001T3
Chemical Name:
Benzenesulfonamide, 3-cyano-N-(1-methylethyl)-
CAS Number:
1003740-72-4
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD12406106
IUPAC Name:
3-cyano-N-propan-2-ylbenzenesulfonamide
InChI:
InChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3
InChI Key:
OKKAJYBALWPQJM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)NC(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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