Basic information
- CAS
760-95-2- Standard SMILES
CCOC(=O)CCCCCCC(Br)C(=O)OCC- InChIKey
ZMINIOSEUPWFEA-UHFFFAOYSA-N- Molecular formula
- C13H23BrO4
- Average molar mass
- 323.22 g/mol
- Monoisotopic mass
- 322.07797
Names & identifiers
- Preferred name
- Diethyl 2-bromononanedioate
- IUPAC
- diethyl 2-bromononanedioate
- English name
- diethyl 2-bromononanedioate
- Molecular formula
- C13H23BrO4
- Molecular weight
- 323.22332
Names & synonyms
Diethyl 2-bromononanedioate760-95-2EINECS 212-085-3SCHEMBL9489696DTXSID30997358ZMINIOSEUPWFEA-UHFFFAOYSA-NNS000421822-Bromononanedioic acid diethyl esterNonanedioic acid,2-bromo-, 1,9-diethyl ester
Database identifiers
- CAS
760-95-2- PubChem CID
- 102480
- DTXSID
DTXSID30997358- EC Number
- 212-085-3
- Nikkaji
- J193.124E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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