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Home> Hot Product Listed A   > AC1LT4JX
15077-57-3 structure

AC1LT4JX

CAS No.:15077-57-3
Molecular Weight:426.4848
Molecular Formula:C19H15F4N3OS (isomer)
Names and Identifiers
Synonyms

2-(4-cyanophenoxy)-n-(thiophen-2-ylmethylideneamino)acetamide 2-(4-cyanophenoxy)-n'-[(thiophen-2-yl)methylidene]acetohydrazide MCULE-5629772655 Z49852505

Inchi
InChI=1/2C9H7NO.K.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;1-5(2,3)4/h2*1-6,11H;;(H2,1,2,3,4)/q;;+1;/p-1
Canonical Smiles
C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)[O-].[K+]
Properties
Vapour
0.00508mmHg at 25°C
Safety and Handling
Risk Statements
22-35
Safety Statements
26-36/37/39-45
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 15077-57-3 EC: AC1LT4JX ·ECHA C&L Inventory for CAS: CAS: 15077-57-3 EC: AC1LT4JX
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:426.4848g/mol
  • Molecular Formula:C19H15F4N3OS
  • Exact Mass:426.028789
  • Monoisotopic Mass:426.028789
  • Complexity:231
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:152
  • Heavy Atom Count:28
  • 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:4
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