Ethyl 6-bromo-5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Basic information
- CAS
315237-28-6- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(OC(C)C(=O)OC)cc12- InChIKey
WKLLQYFEAGYJEJ-UHFFFAOYSA-N- Molecular formula
- C16H17BrO6
- Average molar mass
- 385.21 g/mol
- Monoisotopic mass
- 384.02085
Names & identifiers
- Preferred name
- Ethyl 6-bromo-5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 6-bromo-5-(1-methoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylate
Names & synonyms
315237-28-6ethyl 6-bromo-5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylateethyl 6-bromo-5-((1-methoxy-1-oxopropan-2-yl)oxy)-2-methylbenzofuran-3-carboxylatemethyl 2-[6-bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yloxy]propanoateOprea1_315655CCG-18094STK850992AKOS001616378AKOS016290813ethyl 6-bromo-5-(1-methoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylateST50038618SR-01000456967
Show more names
SR-01000456967-1F0821-0421Z275255564ET 6-BR-5-(2-METHOXY-1-METHYL-2-OXOETHOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
Database identifiers
- CAS
315237-28-6- PubChem CID
- 4213628
- EC Number
- 122-420-4
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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