Methyl 3-(bromomethyl)-2-cyanobenzoate
Basic information
- CAS
920760-01-6- Standard SMILES
COC(=O)c1cccc(CBr)c1C#N- InChIKey
HVSUMZSNMHFTQR-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.97384
Names & identifiers
- Preferred name
- Methyl 3-(bromomethyl)-2-cyanobenzoate
- IUPAC
- methyl 3-(bromomethyl)-2-cyanobenzoate
- English name
- 3-(Bromomethyl)-2-cyanoBenzoic acid methyl ester
- Molecular formula
- C10H8BrNO2
- Molecular weight
- 254.082
Names & synonyms
methyl 3-(bromomethyl)-2-cyanobenzoate920760-01-6SCHEMBL13622164VLB76001methyl3-(bromomethyl)-2-cyanobenzoateDB-018003EN300-1182243-(Bromomethyl)-2-cyanoBenzoic acid methyl ester
Database identifiers
- CAS
920760-01-6- PubChem CID
- 57944005
- EC Number
- 193-386-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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