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Home> Hot Product Listed A   > AKOS000266615
1040682-68-5 structure

AKOS000266615

Iupac Name:1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
CAS No.:1040682-68-5
Molecular Weight:143.149
Molecular Formula:C9H9BRFNO2 (isomer)
Names and Identifiers
Synonyms

1h-indole-2-carboxylic acid, 3-amino-1,5-dimethyl-, methyl ester AK298722 ALBB-021250 BBL007476 BG01212593 BG01522775 BS-3031 HTS000468 IBS-L0205729 KS-00002340 MCULE-5104251980 methyl 3-amino-1,5-dimethyl-1h-indole-2-carboxylate methyl 3-amino-1,5-dimethylindole-2-carboxylate mfcd14282143 MOLPORT-009-192-399 STL145116 ZINC32920076 zx-an036854

Inchi
InChI=1S/C8H5N3/c9-5-8-6-1-3-10-7(6)2-4-11-8/h1-4,10H
InChkey
KURHSTXYMIMHKH-UHFFFAOYSA-N
Canonical Smiles
C1=CNC2=C1C(=NC=C2)C#N
Properties
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:143.149g/mol
  • Molecular Formula:C9H9BRFNO2
  • Compound Is Canonicalized:True
  • Exact Mass:143.048
  • Monoisotopic Mass:143.048
  • Complexity:193
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52.5A^2
  • Heavy Atom Count:11
  • 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: AAADcYBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAADAjBHgQ8wPLJkACw BzRnRACigCAxAiAI2aA4ZJgIoOLA0NGEJAhgkADIyA8QAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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