Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,2-(2,6-dichlorophenyl)-4-hydroxy-, 3,5,5-trimethylhexyl ester
5240-56-2 structure

5-Thiazoleacetic acid,2-(2,6-dichlorophenyl)-4-hydroxy-, 3,5,5-trimethylhexyl ester

Iupac Name:(5Z)-1-benzyl-5-[(2-methylanilino)methylidene]-1,3-diazinane-2,4,6-trione
CAS No.:5240-56-2
Molecular Weight:335.363
Molecular Formula:C14H12N2O7 (isomer)
Names and Identifiers
Synonyms

1-[2-(2-bromophenoxy)ethoxy]-4-methoxybenzene 1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]benzene 1-Hexanol,3,5,5-trimethyl-, 2-(2,6-dichlorophenyl)-4-hydroxy-5-thiazoleacetate AMBCB6469314 cambridge id 6469314 DTXSID80387649 MOLPORT-002-120-164 OR144597 ZINC4701951

Inchi
InChI=1S/C19H17N3O3/c1-13-7-5-6-10-16(13)20-11-15-17(23)21-19(25)22(18(15)24)12-14-8-3-2-4-9-14/h2-11,20H,12H2,1H3,(H,21,23,25)/b15-11-
InChkey
PKHOTXFDWFMUGO-PTNGSMBKSA-N
Canonical Smiles
CC1=CC=CC=C1NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3
Isomers Smiles
CC1=CC=CC=C1N/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3
Properties
Density
1.76
Refractive Index
1.715
Flash Point
229.4°C
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:335.363g/mol
  • Molecular Formula:C14H12N2O7
  • Compound Is Canonicalized:True
  • Exact Mass:335.127
  • Monoisotopic Mass:335.127
  • Complexity:566
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:78.5A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgAQAAAADAjBmAQzwIPAAACI AiVWUACCAAAhAgAIiIEIZMiIICrI0ZGEIAholyLIyMcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
 
<