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90643-45-1 | Benzenesulfonamide, 2,4,5-trimethyl- (7CI,9CI)
CAS No: 90643-45-1 Catalog No: AG00H0QX MDL No:MFCD00456427
Product Description
Catalog Number:
AG00H0QX
Chemical Name:
Benzenesulfonamide, 2,4,5-trimethyl- (7CI,9CI)
CAS Number:
90643-45-1
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD00456427
IUPAC Name:
2,4,5-trimethylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChI Key:
JEUPYYVSBPSDCH-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1C)C)S(=O)(=O)N
Properties
Complexity:
268
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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