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Home> Hot Product Listed F   > F2881-0593
2642-37-7 structure

F2881-0593

Iupac Name:potassium;1H-indol-3-yl sulfate
CAS No.:2642-37-7
Molecular Weight:251.297
Molecular Formula:C14H12CLIN2O3S (isomer)
Names and Identifiers
Synonyms

2-(benzo[d]isoxazol-3-yl)-n-(2-((6-phenylpyridazin-3-yl)oxy)ethyl)acetamide AKOS024475140 MCULE-9851620007 MOLPORT-009-696-675 VU0504991-1 ZINC38486353

Inchi
InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChkey
MDAWATNFDJIBBD-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
Properties
Melting Point
165 °C (dec.)(lit.)
Safety and Handling
Safety Statements
S22;S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2642-37-7 EC: F2881-0593 ·ECHA C&L Inventory for CAS: CAS: 2642-37-7 EC: F2881-0593
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:251.297g/mol
  • Molecular Formula:C14H12CLIN2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:250.965
  • Monoisotopic Mass:250.965
  • Complexity:302
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:90.6A^2
  • Heavy Atom Count:15
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcYByOABAQAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAzBngQ8xvLJkACg AzRnRDSCgCAxYiAI2aA/bJgKJuLAkZOEMAhm0BnYyAeQwKAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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