Diethyl 6-bromoazulene-1,3-dicarboxylate
Basic information
- CAS
1157-45-5- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)c2ccc(Br)ccc1-2- InChIKey
DZRYUGSINUWEOP-UHFFFAOYSA-N- Molecular formula
- C16H15BrO4
- Average molar mass
- 351.19 g/mol
- Monoisotopic mass
- 350.01537
Names & identifiers
- Preferred name
- Diethyl 6-bromoazulene-1,3-dicarboxylate
- IUPAC
- diethyl 6-bromoazulene-1,3-dicarboxylate
Names & synonyms
1157-45-5diethyl 6-bromoazulene-1,3-dicarboxylateNSC225266DTXSID90310327NSC-225266
Database identifiers
- CAS
1157-45-5- PubChem CID
- 312938
- DTXSID
DTXSID90310327- Nikkaji
- J1.379.014K
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
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Compound notes
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