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Home> Hot Product Listed C   > CHEMBL99724
13534-90-2 structure

CHEMBL99724

Iupac Name:3,4-dibromopyridine
CAS No.:13534-90-2
Molecular Weight:236.894
Molecular Formula:C13H19N (isomer)
Names and Identifiers
Synonyms

3-(4-chlorophenyl)-1-oxo-1h-indene-2-carboxamide 3-(4-chloro-phenyl)-1-oxo-1h-indene-2-carboxylic acid amide bdbm50290831 SCHEMBL140758

Inchi
InChI=1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H
InChkey
ZFZWZGANFCWADD-UHFFFAOYSA-N
Canonical Smiles
C1=CN=CC(=C1Br)Br
Properties
Melting Point
71-72 C
Vapour
0.0605mmHg at 25°C
Refractive Index
1.607
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:236.894g/mol
  • Molecular Formula:C13H19N
  • Compound Is Canonicalized:True
  • Exact Mass:236.861
  • Monoisotopic Mass:234.863
  • Complexity:76.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:8
  • 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: AAADcQBiAAAAGAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHABAAAABqADBEgQ8gJIIEACg ADBnRACCgCAxAiQI2CA4ZLgIIGLAkJGEIAhggADIyhYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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