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Home > Sulfanilamide > 4543-58-2
4543-58-2 | 2,4,6-Trimethylbenzenesulfonamide
CAS No: 4543-58-2 Catalog No: AG006ZNK MDL No:MFCD00463245
Product Description
Catalog Number:
AG006ZNK
Chemical Name:
2,4,6-Trimethylbenzenesulfonamide
CAS Number:
4543-58-2
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD00463245
IUPAC Name:
2,4,6-trimethylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChI Key:
YECJUZIGFPJWGQ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1S(=O)(=O)N)C
NSC Number:
87569
Properties
Complexity:
256
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:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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