Basic information
- CAS
315237-11-7- Standard SMILES
CCOC(=O)COc1cc2c(C(=O)OCC)c(-c3ccccc3)oc2cc1Br- InChIKey
AATNJKOJQSMGHQ-UHFFFAOYSA-N- Molecular formula
- C21H19BrO6
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.0365
Names & identifiers
- Preferred name
- Ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
- English name
- ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenylbenzofuran-3-carboxylate
- Molecular formula
- C21H19BrO6
- Molecular weight
- 447.28
Names & synonyms
ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate315237-11-7ChemDiv1_006202Oprea1_514212HMS604J20CCG-18078STK887974AKOS001616545ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenylbenzofuran-3-carboxylateST50038519SR-01000456921SR-01000456921-1
Show more names
3-Benzofurancarboxylic acid, 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenyl-, ethyl ester
F0821-0316ethyl 2-[6-bromo-3-(ethoxycarbonyl)-2-phenylbenzo[b]furan-5-yloxy]acetate
Database identifiers
- CAS
315237-11-7- PubChem CID
- 979366
- EC Number
- 122-258-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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