Basic information
- CAS
1354951-60-2- Standard SMILES
COC(=O)c1cccc(-c2ncno2)c1- InChIKey
FRKKBTPPVMUYSC-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- Methyl 3-(1,2,4-oxadiazol-5-yl)benzoate
- IUPAC
- methyl 3-(1,2,4-oxadiazol-5-yl)benzoate
Names & synonyms
methyl 3-(1,2,4-oxadiazol-5-yl)benzoate1354951-60-2RefChem:814745843-241-4EEC95160AKOS008154462methyl3-(1,2,4-oxadiazol-5-yl)benzoateEN300-85041G60824Z1255524067Benzoic acid, 3-(1,2,4-oxadiazol-5-yl)-, methyl ester
Database identifiers
- CAS
1354951-60-2- PubChem CID
- 54595065
- EC Number
- 843-241-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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