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Home > Sulfanilamide > 1248079-31-3
1248079-31-3 | N,3,5-trimethylbenzene-1-sulfonamide
CAS No: 1248079-31-3 Catalog No: AG019OXC MDL No:MFCD14631196
Product Description
Catalog Number:
AG019OXC
Chemical Name:
N,3,5-trimethylbenzene-1-sulfonamide
CAS Number:
1248079-31-3
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD14631196
IUPAC Name:
N,3,5-trimethylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-7-4-8(2)6-9(5-7)13(11,12)10-3/h4-6,10H,1-3H3
InChI Key:
DGOKPCFPTSBYRH-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(C)cc(c1)C
Properties
Complexity:
245
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:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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