1-Boc-2-Chloro-3-formyl-indole
Basic information
- CAS
180922-71-8- Standard SMILES
CC(C)(C)OC(=O)n1c(Cl)c(C=O)c2ccccc21- InChIKey
FXGYYINAPYFDDP-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO3
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.066221
Names & identifiers
- Preferred name
- 1-Boc-2-Chloro-3-formyl-indole
- IUPAC
- tert-butyl 2-chloro-3-formylindole-1-carboxylate
- English name
- 1-Boc-2-chloro-3-formyl-indole
- Molecular formula
- C14H14ClNO3
- Molecular weight
- 279.72
Names & synonyms
180922-71-81-Boc-2-Chloro-3-formyl-indoleDTXSID90328063RefChem:228196DTXCID00279173tert-Butyl 2-chloro-3-formyl-1H-indole-1-carboxylatetert-butyl 2-chloro-3-formylindole-1-carboxylateNSC722429CHEMBL1989572SCHEMBL282472032-chloro-3-formylindole-1-carboxylic acid tert-butyl esterNSC-722429
Show more names
2-Chloro-3-formyl-indole-1-carboxylic acid tert-butyl ester1H-Indole-1-carboxylic acid, 2-chloro-3-formyl-, 1,1-dimethylethyl ester
tert-Butyl2-chloro-3-formyl-1H-indole-1-carboxylate
Database identifiers
- CAS
180922-71-8- PubChem CID
- 405276
- DTXSID
DTXSID90328063- ChEMBL
CHEMBL1989572- Nikkaji
- J1.586.565B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 94 · 94-96 °C
- Boiling point
- 404 · 404.0±48.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
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Compound notes
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