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Home> Hot Product Listed C   > Cyclohexanone,2-(9-anthracenyl)-
1150271-33-2 structure

Cyclohexanone,2-(9-anthracenyl)-

Iupac Name:benzyl 4-(4-bromophenyl)piperazine-1-carboxylate
CAS No.:1150271-33-2
EINECS(EC#): 229-490-6
Molecular Weight:375.266
Molecular Formula:C27H34N2O (isomer)
Names and Identifiers
Synonyms

2-(9-anthracenyl)cyclohexanone 2-(anthracen-9-yl)cyclohexan-1-one 2-anthracen-9-ylcyclohexan-1-one AC1L4CFT PL041549

Inchi
InChI=1S/C18H19BrN2O2/c19-16-6-8-17(9-7-16)20-10-12-21(13-11-20)18(22)23-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChkey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
Properties
Boiling Point
284.4°C at 760 mmHg
Flash Point
173.5°C
Computational chemical data
  • Molecular Weight:375.266g/mol
  • Molecular Formula:C27H34N2O
  • Compound Is Canonicalized:True
  • Exact Mass:374.063
  • Monoisotopic Mass:374.063
  • Complexity:371
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:32.8A^2
  • Heavy Atom Count:23
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAEAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgBAAAABrAjhmAYwyIMABACI AiRCWACCAAAhAgQIiAAIbKgIZiLAsZmcMAhkxgHI6heQwCAOAAAgAAAAAAAAAEAAAAAAAAAAAAAA AA==
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