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Home> Hot Product Listed M   > MOLPORT-000-837-086
41051-21-2 structure

MOLPORT-000-837-086

Iupac Name:octyl 4-chloro-3-oxobutanoate
CAS No.:41051-21-2
Molecular Weight:248.747
Molecular Formula:C11H11NO3 (isomer)
Names and Identifiers
Synonyms

9-[2-(2,3,4,5,6-pentafluorophenyl)hydrazin-1-yl]acridine hydrochloride AKOS030508728 c19h11clf5n3 MCULE-5465620546

Inchi
InChI=1S/C12H21ClO3/c1-2-3-4-5-6-7-8-16-12(15)9-11(14)10-13/h2-10H2,1H3
InChkey
QVBGSRKQOYZMLR-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCOC(=O)CC(=O)CCl
Properties
Refractive Index
1.4575-1.4595
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Hazard Codes XiRisk Statements 36/37/38Safety Statements 37/39-26
Computational chemical data
  • Molecular Weight:248.747g/mol
  • Molecular Formula:C11H11NO3
  • Compound Is Canonicalized:True
  • Exact Mass:248.118
  • Monoisotopic Mass:248.118
  • Complexity:204
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • 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:1
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