Isopropyl 2-bromo-2-(4-chlorophenyl)acetate
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Basic information
- CAS
103807-49-4- Standard SMILES
CC(C)OC(=O)C(Br)c1ccc(Cl)cc1- InChIKey
WJCVJYLHDSGJPP-UHFFFAOYSA-N- Molecular formula
- C11H12BrClO2
- Average molar mass
- 291.57 g/mol
- Monoisotopic mass
- 289.97092
Names & identifiers
- Preferred name
- Isopropyl 2-bromo-2-(4-chlorophenyl)acetate
- IUPAC
- propan-2-yl 2-bromo-2-(4-chlorophenyl)acetate
- English name
- Alpha-bromo-4-chloro-benzene acetic acid isopropyl este
- Molecular formula
- C11H12BrClO2
- Molecular weight
- 291.56878
Names & synonyms
103807-49-4Isopropyl 2-bromo-2-(4-chlorophenyl)acetatepropan-2-yl 2-bromo-2-(4-chlorophenyl)acetateAlpha-bromo-4-chloro-benzene acetic acid isopropyl esteSCHEMBL14422345AKOS015909606DB-059056a-bromo-4-chloroBenzeneacetic acid 1-methylethyl esterAlpha-bromo-4-chloro-benzene acetic acid isopropyl esterBenzeneacetic acid, α-bromo-4-chloro-, 1-methylethyl esterAlpha-bromo-4-chloro-benzene acetic acid isopropyl este
Database identifiers
- CAS
103807-49-4- PubChem CID
- 13608720
- Nikkaji
- J2.943.655J
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 1.5 Torr)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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