Basic information
- CAS
6204-43-9- Standard SMILES
OC[C@@H]1CO[C@@H](CBr)O1- InChIKey
ZSLVLMWYSIERCN-RFZPGFLSSA-N- Molecular formula
- C5H9BrO3
- Average molar mass
- 197.03 g/mol
- Monoisotopic mass
- 195.97351
Names & identifiers
- Preferred name
- trans-2-Bromomethyl-1,3-dioxolane-4-methanol
- IUPAC
- [(2R,4R)-2-(bromomethyl)-1,3-dioxolan-4-yl]methanol
- English name
- trans-2-bromomethyl-1,3-dioxolane-4-methanol
- Molecular formula
- C5H9BrO3
- Molecular weight
- 197.03
Names & synonyms
6204-43-9[(2r,4r)-2-(bromomethyl)-1,3-dioxolan-4-yl]methanoltrans-2-Bromomethyl-1,3-dioxolane-4-methanolEINECS 228-273-3DTXSID9012298681,3-Dioxolane-4-methanol, 2-(bromomethyl)-, trans-1,3-Dioxolane-4-methanol, 2-(bromomethyl)-, trans- (8CI,9CI)
Database identifiers
- CAS
6204-43-9- PubChem CID
- 111172
- DTXSID
DTXSID901229868- EC Number
- 228-273-3
- Nikkaji
- J215.965A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- Boiling point
- 266.3 · 266.3±25.0 °C(Predicted)
- Density
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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