Basic information
- CAS
89607-68-1- Standard SMILES
CCOC(=O)C1=Nc2ccccc2C1=[N+]=[N-]- InChIKey
HHXBUEDUJDFQEA-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester
- IUPAC
- ethyl 3-diazoindole-2-carboxylate
Names & synonyms
89607-68-13H-Indole-2-carboxylic acid, 3-diazo-, ethyl esterDTXSID70349695RefChem:283177DTXCID10300765MLS000079382ethyl 3-diazo-3H-indole-2-carboxylateSMR0000384833-diazo-3H-indole-2-carboxylic acid ethyl ester(Z)-(3-diazonioindol-2-ylidene)-ethoxymethanolateSCHEMBL2350732SCHEMBL2806738
Show more names
CHEMBL1589298BDBM38877cid_5389021ethyl 3-diazoindole-2-carboxylateHHXBUEDUJDFQEA-UHFFFAOYSA-NSTK721865AKOS005524071NCGC00020974-01
Database identifiers
- CAS
89607-68-1- PubChem CID
- 657705
- DTXSID
DTXSID70349695- ChEMBL
CHEMBL1589298- Nikkaji
- J1.369.512A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Compound notes
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