Basic information
- CAS
315237-35-5- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12- InChIKey
NHCHQRCGPRAEFF-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO5
- Average molar mass
- 356.17 g/mol
- Monoisotopic mass
- 355.00554
Names & identifiers
- Preferred name
- Ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methyl-1-benzofuran-3-carboxylate
- English name
- ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methylbenzofuran-3-carboxylate
- Molecular formula
- C14H14BrNO5
- Molecular weight
- 356.17
Names & synonyms
315237-35-5ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methyl-1-benzofuran-3-carboxylateSMR000118223MLS000120891ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methylbenzofuran-3-carboxylate6-Bromo-5-carbamoylmethoxy-2-methyl-benzofuran-3-carboxylic acid ethyl esterETHYL 6-BROMO-5-(CARBAMOYLMETHOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATECBMicro_003467Oprea1_043271Oprea1_650103cid_979445CHEMBL1563111
Show more names
3-Benzofurancarboxylic acid, 5-(2-amino-2-oxoethoxy)-6-bromo-2-methyl-, ethyl ester
BDBM74696HMS2328F22SMSF0018916STL053938AKOS000528405CB05203BIM-0003390.P001ST50013049
Database identifiers
- CAS
315237-35-5- PubChem CID
- 979445
- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 514.9 · 514.9±50.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.40(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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