Basic information
- CAS
1805190-08-2- Standard SMILES
COC(=O)Cc1cc(C#N)c(Br)c(C=O)c1- InChIKey
KVLAVRQNZPIOHA-UHFFFAOYSA-N- Molecular formula
- C11H8BrNO3
- Average molar mass
- 282.09 g/mol
- Monoisotopic mass
- 280.96876
Names & identifiers
- Preferred name
- Methyl 2-(4-bromo-3-cyano-5-formylphenyl)acetate
- IUPAC
- methyl 2-(4-bromo-3-cyano-5-formylphenyl)acetate
Names & synonyms
methyl 2-(4-bromo-3-cyano-5-formylphenyl)acetate1805190-08-2Methyl 4-bromo-3-cyano-5-formylphenylacetateDTXSID901190338Methyl (4-bromo-3-cyano-5-formylphenyl)acetateBenzeneacetic acid, 4-bromo-3-cyano-5-formyl-, methyl ester
Database identifiers
- CAS
1805190-08-2- PubChem CID
- 134635260
- DTXSID
DTXSID901190338
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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