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Home> Hot Product Listed I   > Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy]pentyl]-3-methyl-
16844-08-9 structure

Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy]pentyl]-3-methyl-

CAS No.:16844-08-9
Molecular Weight:148.67358
Molecular Formula:C28H17N3NAO7S+ (isomer)
Names and Identifiers
Synonyms

5-[5-[4-(4,5-dihydrooxazol-2-yl)-2-ethyl-phenoxy]pentyl]-3-methyl-isoxazole 5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethylphenoxy]pentyl}-3-methyl-1,2-oxazole CHEMBL127883 DTXSID70147234 SCHEMBL9862912

Inchi
InChI=1S/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChkey
HKDCIIMOALDWHF-MRVPVSSYSA-N
Canonical Smiles
CCCCCCC(C)Cl
Properties
Melting Point
-41.9°C (estimate)
Boiling Point
°Cat760mmHg
Vapour
1.695mmHg at 25°C
Refractive Index
1.423
Flash Point
°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:148.67358g/mol
  • Molecular Formula:C28H17N3NAO7S+
  • XLogP3-AA:4.2
  • Exact Mass:148.101878
  • Monoisotopic Mass:148.101878
  • Complexity:52.5
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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