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Home> Encyclopedia > Hot Product Listed 5   > 5H-Pyrido[3,2-b]indole
374633-27-9 structure

5H-Pyrido[3,2-b]indole

Iupac Name:4-bromo-1H-indole-6-carboxylic acid
CAS No.:374633-27-9
Molecular Weight:240.056
Molecular Formula:C12H12N4O2 (isomer)
Names and Identifiers
Synonyms

5 H -Pyrido[3,2- b ]indole d-Carboline delta-Carboline

Inchi
InChI=1S/C9H6BrNO2/c10-7-3-5(9(12)13)4-8-6(7)1-2-11-8/h1-4,11H,(H,12,13)
InChkey
SAEJTFXNRYRHNA-UHFFFAOYSA-N
Canonical Smiles
C1=CNC2=C1C(=CC(=C2)C(=O)O)Br
Properties
Density
1.41
Boiling Point
315.9°C at 760 mmHg
Refractive Index
1.749
HS Code
2933990090
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:240.056g/mol
  • Molecular Formula:C12H12N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:238.958
  • Monoisotopic Mass:238.958
  • Complexity:222
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:53.1A^2
  • Heavy Atom Count:13
  • 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: AAADcYByMAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgBQCAABrAjBngQ8yPLJkgCo AzT3TACCgCA1AiQI2aE4bPgIJvLAlZGEcQhk0AHI25e8yPCOQAAAUAECgACAAACgAgUAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:+1-(301)-961-1525
  • Fax:+1-(240)-235-4288
  • Tel:800 720 9483
  • Fax:877 765 6616
  • Tel:0086-21-67676847-8008
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+1-(410)-997-5552, 469-0727
  • Fax:+1-(410)-309-5955
 
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