Basic information
- CAS
56518-39-9- Standard SMILES
COC/C(C#N)=C\c1cc(OC)c(Br)c(OC)c1- InChIKey
FZVLRBPIBXTWKY-WMZJFQQLSA-N- Molecular formula
- C13H14BrNO3
- Average molar mass
- 312.16 g/mol
- Monoisotopic mass
- 311.01571
Names & identifiers
- Preferred name
- Einecs 260-236-7
- IUPAC
- (Z)-3-(4-bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
- English name
- 3-(4-bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile
- Molecular formula
- C13H14BrNO3
- Molecular weight
- 312.16
Names & synonyms
56518-39-9EINECS 260-236-73-(4-Bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrileNS000542753-(4-Bromo-3,5-dimethoxyphenyl)-2-methoxymethylpropenenitrile3-(4-BroMo-3,5-diMethoxyphenyl)-2-(MethoxyMethyl)-2-propenenitrile2-Propenenitrile, 3-(4-bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)-
Database identifiers
- CAS
56518-39-9- PubChem CID
- 6436615
- EC Number
- 260-236-7
- Nikkaji
- J296.701D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- solubility
- Dimethyl Sulfoxide
- form
- Crystals
- color
- Yellow
Chemistry & industry
Applications
UsesIntermediate in the synthesis of Brodimoprim (B678100).
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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