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Home> Encyclopedia > Hot Product Listed A   > Asocainol
117294-21-0 structure

Asocainol

Iupac Name:8-bromo-3,4-dihydro-1H-naphthalen-2-one
CAS No.:117294-21-0
Molecular Weight:225.085
Molecular Formula:C18H21IN2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
InChkey
RWEVGLMABSFMKW-UHFFFAOYSA-N
Canonical Smiles
C1CC2=C(CC1=O)C(=CC=C2)Br
Properties
Appearance
Yellow
Density
1.21
Boiling Point
541.9°Cat760mmHg
Vapour
0.00016mmHg at 25°C
Refractive Index
1.598
Flash Point
197.3°C
HS Code
2914700090
Safety and Handling
HazardClass
IRRITANT
Specification

 Pigment Yellow 155 (CAS NO.68516-73-4), its Synonyms are 1,4-Benzenedicarboxylic acid, 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis-, 1,1',4,4'-tetramethyl ester ; 1,4-Benzenedicarboxylic acid, 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis-, tetramethyl ester ; Tetramethyl 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxoethane-1,2-diyl)azo))bisterephthalate ; N,N'-p-Phenylenebis(2-(2,5-dicarbomethoxyphenyl)azo)acetoacetamide . Its color is yellow.

Computational chemical data
  • Molecular Weight:225.085g/mol
  • Molecular Formula:C18H21IN2
  • Compound Is Canonicalized:True
  • Exact Mass:223.984
  • Monoisotopic Mass:223.984
  • Complexity:190
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:12
  • 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: AAADccBwIAAAEAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgBAAAABrASAmAAwAIAAAACI AqBSAAACAAAgAAQIiAEAAKgIIDKAFRCAIAAggAAIihcIiICOgAAAEAAQgAAAAAAgACEAAAAAAAAA AA==
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