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Home> Hot Product Listed S   > smr000338008
95268-62-5 structure

smr000338008

CAS No.:95268-62-5
Molecular Weight:286.4136
Molecular Formula:C17H14CLNO2 (isomer)
Names and Identifiers
Synonyms

12-(2-hydroxy-5-methylbenzoyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile 2-(2-hydroxy-5-methyl-benzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile 2-(5-methyl-2-oxidanyl-phenyl)carbonylpyrido[1,2-a]benzimidazole-4-carbonitrile 2-[(2-hydroxy-5-methylphenyl)-oxomethyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile 7M-752 AC1LS9ME AKOS005100641 bdbm54345 CHEMBL1332060 cid_1484504 HMS2640K18 MLS000755133 MOLPORT-002-877-724 OPREA1_833103 ZINC1398280

Inchi
InChI=1/C14H30N4O2/c1-11(17-19)13(3,4)15-9-7-8-10-16-14(5,6)12(2)18-20/h15-16,19-20H,7-10H2,1-6H3/b17-11+,18-12+
Properties
Refractive Index
1.496
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:286.4136g/mol
  • Molecular Formula:C17H14CLNO2
  • Exact Mass:286.236876
  • Monoisotopic Mass:286.236876
  • Complexity:315
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:89.2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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