1-Chloroethyl 4-bromo-1,3-dihydroisoindole-2-carboxylate
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Basic information
- CAS
1269195-03-0- Standard SMILES
CC(Cl)OC(=O)N1Cc2cccc(Br)c2C1- InChIKey
UKOJHVCIAXXQIE-UHFFFAOYSA-N- Molecular formula
- C11H11BrClNO2
- Average molar mass
- 304.57 g/mol
- Monoisotopic mass
- 302.96617
Names & identifiers
- Preferred name
- 1-Chloroethyl 4-bromo-1,3-dihydroisoindole-2-carboxylate
- IUPAC
- 1-chloroethyl 4-bromo-1,3-dihydroisoindole-2-carboxylate
- English name
- 1-chloroethyl 4-bromoisoindoline-2-carboxylate
- Molecular formula
- C11H11BrClNO2
- Molecular weight
- 304.57
Names & synonyms
1269195-03-0SCHEMBL12164470DA-130821-chloroethyl 4-bromoisoindoline-2-carboxylate2H-Isoindole-2-carboxylic acid, 4-bromo-1,3-dihydro-, 1-chloroethyl ester
Database identifiers
- CAS
1269195-03-0- PubChem CID
- 53441452
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 374.5 · 374.5±42.0 °C(Predicted)
- Density
- 1.589 · 1.589±0.06 g/cm3(Predicted)
- pka
- -1.95 · -1.95±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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