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Home > Sulfanilamide > 1700096-55-4
1700096-55-4 | 4-ethyl-3-methylbenzene-1-sulfonamide
CAS No: 1700096-55-4 Catalog No: AG01B3VE MDL No:
Product Description
Catalog Number:
AG01B3VE
Chemical Name:
4-ethyl-3-methylbenzene-1-sulfonamide
CAS Number:
1700096-55-4
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
4-ethyl-3-methylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-3-8-4-5-9(6-7(8)2)13(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChI Key:
KTTQPCRTZVSKEK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1C)S(=O)(=O)N
Properties
Complexity:
255
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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