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Home> Encyclopedia > Hot Product Listed 2   > 2,7:3,6-Dimethano-1H-cyclopropa[b]naphthalene,1a,2,2a,3,6,6a,7,7a-octahydro- (8CI,9CI)
1223522-16-4 structure

2,7:3,6-Dimethano-1H-cyclopropa[b]naphthalene,1a,2,2a,3,6,6a,7,7a-octahydro- (8CI,9CI)

Iupac Name:N-[3-[methyl(methylsulfonyl)amino]propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CAS No.:1223522-16-4
EINECS(EC#): 252-312-3
Molecular Weight:352.372
Molecular Formula:C24H16CLN3O9S3.3NA (isomer)
Names and Identifiers
Synonyms

Pentacyclo[7.2.1.13,7.02,8.04,6]tridec-10-ene

Inchi
InChI=1S/C14H19F3N2O3S/c1-19(23(2,21)22)9-3-8-18-13(20)10-11-4-6-12(7-5-11)14(15,16)17/h4-7H,3,8-10H2,1-2H3,(H,18,20)
InChkey
HFCQHUPFRWCGLL-UHFFFAOYSA-N
Canonical Smiles
CN(CCCNC(=O)CC1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C
Properties
Density
1.226
Boiling Point
167°Cat760mmHg
Flash Point
187°C
Computational chemical data
  • Molecular Weight:352.372g/mol
  • Molecular Formula:C24H16CLN3O9S3.3NA
  • Compound Is Canonicalized:True
  • Exact Mass:352.107
  • Monoisotopic Mass:352.107
  • Complexity:481
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:74.9A^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: AAADceBzMYBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwQQQAAADADBmBSyAILAAAKI AiFSEHACAAAgAAAIiIEIAIgIIDKA1RGEIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
 
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