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1249889-77-7 | 1-(4-METHYLPHENYL)ETHANE-1-SULFONAMIDE
CAS No: 1249889-77-7 Catalog No: AG01B30F MDL No:MFCD16672011
Product Description
Catalog Number:
AG01B30F
Chemical Name:
1-(4-METHYLPHENYL)ETHANE-1-SULFONAMIDE
CAS Number:
1249889-77-7
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD16672011
IUPAC Name:
1-(4-methylphenyl)ethanesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-7-3-5-9(6-4-7)8(2)13(10,11)12/h3-6,8H,1-2H3,(H2,10,11,12)
InChI Key:
BTJJCMMKKAWBPL-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)N)c1ccc(cc1)C
Properties
Complexity:
247
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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