Basic information
- CAS
4771-17-9- Standard SMILES
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1[N+](=O)[O-]- InChIKey
VLFCPSYNMGQTJT-UHFFFAOYSA-N- Molecular formula
- C11H9N3O6
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 279.04913502
Names & identifiers
- Preferred name
- Ethyl 3,7-dinitro-1h-indole-2-carboxylate
- IUPAC
- ethyl 3,7-dinitro-1H-indole-2-carboxylate
Names & synonyms
4771-17-9ethyl 3,7-dinitro-1h-indole-2-carboxylateNSC137503SCHEMBL58973721H-Indole-2-carboxylicacid, 3,7-dinitro-, ethyl esterDTXSID30300540NSC-137503DS-002935
Database identifiers
- CAS
4771-17-9- PubChem CID
- 283175
- DTXSID
DTXSID30300540
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…