Basic information
- CAS
670-72-4- Standard SMILES
O=C([O-])C(Br)c1ccccc1- InChIKey
WAKFRZBXTKUFIW-UHFFFAOYSA-M- Molecular formula
- C8H6BrO2-
- Average molar mass
- 214.04 g/mol
- Monoisotopic mass
- 212.95512
Names & identifiers
- Preferred name
- Phenylbromoacetate
- IUPAC
- 2-bromo-2-phenylacetate
- English name
- PhenylBromoacetate
- Molecular formula
- C21H14F3N3O6S
- Molecular weight
- 493.41
Names & synonyms
PHENYLBROMOACETATE2-bromo-2-phenylacetate670-72-4bromophenylacetateBromo(phenyl)acetateDTXSID20621554WAKFRZBXTKUFIW-UHFFFAOYSA-MAKOS024437988Benzamide, N-[2-[(2,4-dinitrophenyl)thio]-5-(trifluoromethyl)phenyl]-3-methoxy-
Database identifiers
- CAS
670-72-4- PubChem CID
- 22017357
- DTXSID
DTXSID20621554
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 136
Physicochemical properties
- Boiling point
- 523.9 · 523.9±50.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.70(Predicted)
Chemistry & industry
Suppliers1 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
4 records
Compound notes
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