Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester
Basic information
- CAS
122277-22-9- Standard SMILES
CCOC(=O)c1cc(Br)ccc1OC(N)=O- InChIKey
FRYMTGAPYWWVQL-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO4
- Average molar mass
- 288.09 g/mol
- Monoisotopic mass
- 286.97932
Names & identifiers
- Preferred name
- Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl ester
- IUPAC
- ethyl 5-bromo-2-carbamoyloxybenzoate
- English name
- ethyl 5-bromo-2-carbamoyloxy-benzoate
- Molecular formula
- C10H10BrNO4
- Molecular weight
- 288.09
Names & synonyms
122277-22-9Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, ethyl esterBRN 5949870Ethyl 2-((aminocarbonyl)oxy)-5-bromobenzoateDTXSID90153559RefChem:326713DTXCID9076050ethyl 5-bromo-2-carbamoyloxybenzoateETHYL 5-BROMO-2-(CARBAMOYLOXY)BENZOATEethyl 5-bromo-2-carbamoyloxy-benzoateBenzoic acid, 2-[(aminocarbonyl)oxy]-5-bromo-, ethyl ester
Database identifiers
- CAS
122277-22-9- PubChem CID
- 3078720
- DTXSID
DTXSID90153559
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Boiling point
- 421.5 · 421.5±45.0 °C(Predicted)
- Density
- 1.558 · 1.558±0.06 g/cm3(Predicted)
- pka
- 12.29 · 12.29±0.50(Predicted)
- Comptox DTXSID
- 90153559 · DTXSID90153559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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