Basic information
- CAS
2315-84-6- Standard SMILES
CC(=O)Oc1c(Br)cc(C#N)cc1Br- InChIKey
FZCAJMPJPVJNPB-UHFFFAOYSA-N- Molecular formula
- C9H5Br2NO2
- Average molar mass
- 318.95 g/mol
- Monoisotopic mass
- 316.8687
Names & identifiers
- Preferred name
- 4-Acetoxy-3,5-dibromobenzonitrile
- IUPAC
- (2,6-dibromo-4-cyanophenyl) acetate
- English name
- 4-acetoxy-3,5-dibromobenzonitrile
- Molecular formula
- C9H5Br2NO2
- Molecular weight
- 318.9495
Names & synonyms
2315-84-64-Acetoxy-3,5-dibromobenzonitrile2,6-dibromo-4-cyanophenyl acetate4-(Acetyloxy)-3,5-dibromobenzonitrileBenzonitrile, 4-(acetyloxy)-3,5-dibromo-EINECS 219-021-34-Acetyloxy-3,5-dibromobenzonitrileUQA468G6VTSCHEMBL23621178DTXSID30177734FZCAJMPJPVJNPB-UHFFFAOYSA-NNS00027368
Show more names
Benzonitrile, 3,5-dibromo-4-hydroxy-, acetate
Database identifiers
- CAS
2315-84-6- PubChem CID
- 75340
- DTXSID
DTXSID30177734- UNII
- UQA468G6VT
- EC Number
- 219-021-3
- Nikkaji
- J213.189G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- FDA UNII
- 468 G6VT · UQA468G6VT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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