Basic information
- CAS
920491-62-9- Standard SMILES
COc1cc(Br)c(C(O)C#N)cc1OC- InChIKey
BYMRKBWJIRIFEA-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO3
- Average molar mass
- 272.09 g/mol
- Monoisotopic mass
- 270.98441
Names & identifiers
- Preferred name
- 2-Bromo-alpha-hydroxy-4,5-dimethoxybenzeneacetonitrile
- IUPAC
- 2-(2-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetonitrile
Names & synonyms
920491-62-9RefChem:2575322-Bromo-alpha-hydroxy-4,5-dimethoxybenzeneacetonitrileBenzoic alcohol, 1-cyano-2'-bromo-4',5'-dimethoxy-BYMRKBWJIRIFEA-UHFFFAOYSA-NDTXSID301227357(2-Bromo-4,5-dimethoxyphenyl)(hydroxy)acetonitrile(2-Bromo-4,5-dimethoxyphenyl)(hydroxy)acetonitrile #2-Bromo-I+/--hydroxy-4,5-dimethoxybenzeneacetonitrile
Database identifiers
- CAS
920491-62-9- PubChem CID
- 623253
- DTXSID
DTXSID301227357- Nikkaji
- J2.408.941J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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