Diethyl 2-chloroazulene-1,3-dicarboxylate
Basic information
- CAS
36044-40-3- Standard SMILES
CCOC(=O)c1c2cccccc-2c(C(=O)OCC)c1Cl- InChIKey
SYHKOSYNMHYLPX-UHFFFAOYSA-N- Molecular formula
- C16H15ClO4
- Average molar mass
- 306.74 g/mol
- Monoisotopic mass
- 306.0658866
Names & identifiers
- Preferred name
- Diethyl 2-chloroazulene-1,3-dicarboxylate
- IUPAC
- diethyl 2-chloroazulene-1,3-dicarboxylate
- English name
- Diethyl 2-chloro-1,3-azulenedicarboxylate
- Molecular weight
- 0
Names & synonyms
Diethyl 2-chloroazulene-1,3-dicarboxylate36044-40-3DTXSID504372862-Chloro-azulene-1,3-dicarboxylic acid diethyl esterDiethyl 2-chloro-1,3-azulenedicarboxylate2-Chloroazulene-1,3-dicarboxylic acid diethyl ester2-Chloro-1,3-azulenedicarboxylic acid diethyl ester
Database identifiers
- CAS
36044-40-3- PubChem CID
- 10244674
- DTXSID
DTXSID50437286- Nikkaji
- J355.851G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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