Basic information
- CAS
56521-82-5- Standard SMILES
O=C(CBr)OCCOc1ccccc1- InChIKey
OPGXPDPPQCMKEC-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 2-Phenoxyethyl bromoacetate
- IUPAC
- 2-phenoxyethyl 2-bromoacetate
- English name
- 2-Phenoxyethyl monobromoacetate
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
56521-82-52-Phenoxyethyl bromoacetate2-Phenoxyethyl monobromoacetateNSC406072beta-phenoxyethyl bromoacetateSCHEMBL10731158DTXSID60324234NSC-406072DB-261390Bromoacetic acid 2-phenoxyethyl esterAcetic acid, 2-bromo-, 2-phenoxyethyl ester
Database identifiers
- CAS
56521-82-5- PubChem CID
- 347409
- DTXSID
DTXSID60324234- Nikkaji
- J71.621I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Chemistry & industry
Suppliers4 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Related reactions
2 records
Compound notes
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