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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 2-(4-chlorophenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > cyclopropanes > 2-(4-chlorophenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > cyclopropanes > 2-(4-chlorophenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

Preferred term

2-(4-chlorophenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C15H18ClN3O

inchi

  • InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3

inchikey

  • UFNOUKDBUJZYDE-UHFFFAOYSA-N

mass

  • 291.77600

monoisotopicmass

  • 291.11384

smiles

  • CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1

subset

  • 3_STAR

synonym EXACT

  • 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83748

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