1,2,3-Propanetriyl tris(bromoacetate)
Basic information
- CAS
64503-08-8- Standard SMILES
O=C(CBr)OCC(COC(=O)CBr)OC(=O)CBr- InChIKey
CJUOWAWICLNGCQ-UHFFFAOYSA-N- Molecular formula
- C9H11Br3O6
- Average molar mass
- 454.89 g/mol
- Monoisotopic mass
- 451.81058
Names & identifiers
- Preferred name
- 1,2,3-Propanetriyl tris(bromoacetate)
- IUPAC
- 2,3-bis[(2-bromoacetyl)oxy]propyl 2-bromoacetate
- English name
- 1,2,3-propanetriyl tris(bromoacetate)
- Molecular formula
- C9H11Br3O6
- Molecular weight
- 454.89
Names & synonyms
64503-08-81,2,3-Propanetriyl tris(bromoacetate)GDQ2ZS4CG8AI3-30211Acetic acid, bromo-, 1,2,3-propanetriyl esterNSC-20005EINECS 264-927-4propane-1,2,3-triyl tris(bromoacetate)2,3-bis[(2-bromoacetyl)oxy]propyl 2-bromoacetateNSC20005UNII-GDQ2ZS4CG8SCHEMBL7753418
Show more names
1,2,3-Tris(bromoacetoxy)propane
DTXSID60214762CJUOWAWICLNGCQ-UHFFFAOYSA-NNSC 20005NS000357071,1',1''-(1,2,3-Propanetriyl) tris(2-bromoacetate)Acetic acid, 2-bromo-, 1,1',1''-(1,2,3-propanetriyl) ester
Database identifiers
- CAS
64503-08-8- PubChem CID
- 95135
- DTXSID
DTXSID60214762- UNII
- GDQ2ZS4CG8
- EC Number
- 264-927-4
- Nikkaji
- J60.778I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- FDA UNII
- 2 ZS4CG8 · GDQ2ZS4CG8
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Related reactions
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Compound notes
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