Ethyl 3H-benzo[e]indole-2-carboxylate
Basic information
- CAS
52280-52-1- Standard SMILES
CCOC(=O)c1cc2c(ccc3ccccc32)[nH]1- InChIKey
MZNWVDAWTJDZLG-UHFFFAOYSA-N- Molecular formula
- C15H13NO2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.09462866
Names & identifiers
- Preferred name
- Ethyl 3H-benzo[e]indole-2-carboxylate
- IUPAC
- ethyl 3H-benzo[e]indole-2-carboxylate
Names & synonyms
Ethyl 3H-benzo[e]indole-2-carboxylateNSC60774652280-52-1SCHEMBL6518295DTXSID60326657ethyl benz[e]indole-2-carboxylateMZNWVDAWTJDZLG-UHFFFAOYSA-NMFCD11458092AKOS009162588NSC-607746SY367533
Database identifiers
- CAS
52280-52-1- PubChem CID
- 354965
- DTXSID
DTXSID60326657- Nikkaji
- J436.033H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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