Basic information
- Standard SMILES
CC(=O)OCCOCBr- InChIKey
AOWRRNLQOFCITG-UHFFFAOYSA-N- Molecular formula
- C5H9BrO3
- Average molar mass
- 197.03 g/mol
- Monoisotopic mass
- 195.97350625
Names & identifiers
- Preferred name
- 2-(Bromomethoxy)ethyl acetate
- IUPAC
- 2-(bromomethoxy)ethyl acetate
- English name
- (2-Acetoxyethoxy)-methyl bromide
- Molecular formula
- C5H9BrO3
- Molecular weight
- 197.03
Names & synonyms
81777-40-42-(bromomethoxy)ethyl acetateDTXSID80327227RefChem:253300DTXCID20278340(2-acetoxyethoxy)methyl bromide(2-Acetoxyethoxy)-methyl bromide(2-ACETOXYETHOXY)-METHYLBROMIDEEthanol,2-(bromomethoxy)-, 1-acetateNSC6375342-acetoxyethoxymethyl bromide2-Acetoxy-ethoxymethyl-bromid
Show more names
Ethanol, 2-(bromomethoxy)-, 1-acetateACETIC ACID 2-BROMOMETHOXY-ETHYL ESTER
SCHEMBL1484923CHEMBL1986586(2-Acetoxyethoxy) methyl bromideAOWRRNLQOFCITG-UHFFFAOYSA-NJZ3037MFCD03411325AKOS006276672NSC-637534
Database identifiers
- CAS
81777-40-4- PubChem CID
- 367656
- DTXSID
DTXSID80327227- ChEMBL
CHEMBL1986586- Nikkaji
- J1.046.770E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Boiling point
- 221.7 · 221.7±15.0 °C(Predicted)
- Density
- 1.469 · 1.469±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
19 records
Linked notes
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