Basic information
- CAS
13931-38-9- Standard SMILES
CC(C)OC(=O)CCCCBr- InChIKey
BNMDVZUARWALIW-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554
Names & identifiers
- Preferred name
- Isopropyl 5-bromopentanoate
- IUPAC
- propan-2-yl 5-bromopentanoate
- English name
- 5-Bromopentanoic acid, isopropyl ester
- Molecular formula
- C8H15BrO2
- Molecular weight
- 223.11
Names & synonyms
Isopropyl 5-bromopentanoate13931-38-9SDT3PBB4JZ1-Methylethyl 5-bromopentanoatePentanoic acid, 5-bromo-, 1-methylethyl ester5-Bromopentanoic acid, isopropyl esterDTXSID50336902RefChem:201303DTXCID00287990BNMDVZUARWALIW-UHFFFAOYSA-Npropan-2-yl 5-bromopentanoateUNII-SDT3PBB4JZ
Show more names
Isopropyl 5-bromopentanoate #SCHEMBL1365490DA-10819
Database identifiers
- CAS
13931-38-9- PubChem CID
- 537151
- DTXSID
DTXSID50336902- UNII
- SDT3PBB4JZ
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 112 · 112-114 °C
- Boiling point
- 112 · 112-114 °C(Press: 15 Torr)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- FDA UNII
- 3 PBB4JZ · SDT3PBB4JZ
Chemistry & industry
Suppliers5 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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