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Home> Hot Product Listed M   > MOLPORT-000-705-524
76697-58-0 structure

MOLPORT-000-705-524

Iupac Name:2-propylsulfonylaniline
CAS No.:76697-58-0
Molecular Weight:199.27002
Molecular Formula:C17H19N3O3S (isomer)
Names and Identifiers
Synonyms

AKOS030519471 CHEMBL3189778

Inchi
InChI=1/C9H13NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3
Canonical Smiles
CCCS(=O)(=O)C1=CC=CC=C1N
Properties
Refractive Index
1.55
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 76697-58-0 EC: MOLPORT-000-705-524 ·ECHA C&L Inventory for CAS: CAS: 76697-58-0 EC: MOLPORT-000-705-524
Computational chemical data
  • Molecular Weight:199.27002g/mol
  • Molecular Formula:C17H19N3O3S
  • XLogP3-AA:1.8
  • Exact Mass:199.066699
  • Monoisotopic Mass:199.066699
  • Complexity:243
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68.5
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:+86 25 85306029
  • Fax:+86 25 85309729
  • Tel:+86-(25)-8645 8768
  • Fax:+86-(25)-8645 5019
  • Tel:+44-(1625)-850089
  • Fax:+44-(1625)-858854
 
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