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Home> Hot Product Listed S   > SCHEMBL7481859
182181-19-7 structure

SCHEMBL7481859

Iupac Name:6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
CAS No.:182181-19-7
Molecular Weight:196.59
Molecular Formula:C5H8O2 (isomer)
Names and Identifiers
Synonyms

3-diethylaminomethyl-1,2,4-thiadiazolo[4,5-a]benzimidazole

Inchi
InChI=1S/C8H5ClN2O2/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h1-4H,(H,12,13)
InChkey
YZBKAIKDSQEETA-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=NC(=CN2C=C1Cl)C(=O)O
Properties
Melting Point
228-229℃
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:196.59g/mol
  • Molecular Formula:C5H8O2
  • Compound Is Canonicalized:True
  • Exact Mass:196.004
  • Monoisotopic Mass:196.004
  • Complexity:224
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.6A^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: AAADcYBzMAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHgIACAAACArBlyQ9uJ8MGgCo ATb3bASCgC03F6AJ2CG4ftiKbOrBm7HUYIhqgALY2OYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-87396431
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