(2R)-2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoate
Basic information
- CAS
179090-36-9- Standard SMILES
O=C([O-])[C@H](Br)CCCN1C(=O)c2ccccc2C1=O- InChIKey
FCGBPUWRRBLODE-SNVBAGLBSA-M- Molecular formula
- C13H11BrNO4-
- Average molar mass
- 325.13 g/mol
- Monoisotopic mass
- 323.98715
Names & identifiers
- Preferred name
- (2R)-2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoate
- IUPAC
- (2R)-2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoate
- English name
- (R)-5-Phthalimido-2-bromovaleric acid
- Molecular formula
- C13H12BrNO4
- Molecular weight
- 326.14
Names & synonyms
ZINC02585542(2R)-2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoateDTXSID90427484(2R)-2-Bromo-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoate(R)-5-Phthalimido-2-bromovaleric acid(R)-5-PhthaliMido-2-broMovaleric acid, (95% ee)(R)-5-Phthalimido-2-bromovaleric acid,95%, (98% ee)(R)-5-PHTHALIMIDO-2-BROMOVALERIC ACID, 95%,(95% EE)2H-Isoindole-2-pentanoic acid, α-bromo-1,3-dihydro-1,3-dioxo-, (αR)-
Database identifiers
- CAS
179090-36-9- PubChem CID
- 7023218
- DTXSID
DTXSID90427484
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 369
Physicochemical properties
- Density
- 1.6589 · 1.6589 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- form
- Powder
- color
- Off-white
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 29251995 · 29251995
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29251995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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