Basic information
- CAS
308296-43-7- Standard SMILES
COC(=O)c1c(C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12- InChIKey
GKSWWENXWUCHKA-UHFFFAOYSA-N- Molecular formula
- C18H15NO6
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0899372
Names & identifiers
- Preferred name
- Methyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
- IUPAC
- methyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
- English name
- methyl 2-methyl-5-((3-nitrobenzyl)oxy)benzofuran-3-carboxylate
- Molecular formula
- C18H15NO6
- Molecular weight
- 341.31
Names & synonyms
308296-43-7methyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylatemethyl 2-methyl-5-((3-nitrobenzyl)oxy)benzofuran-3-carboxylatemethyl 2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylateMETHYL 2-METHYL-5-((3-NITROBENZYL)OXY)-1-BENZOFURAN-3-CARBOXYLATECBKinase1_002134CBKinase1_014534Oprea1_031407STK840199AKOS001661342ST50038647F1190-0003
Show more names
3-Benzofurancarboxylic acid, 2-methyl-5-[(3-nitrophenyl)methoxy]-, methyl ester
Z275255618methyl 2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate
Database identifiers
- CAS
308296-43-7- PubChem CID
- 700014
- EC Number
- 122-289-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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