Basic information
- CAS
3017211-16-1- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1c1cc(Br)no1- InChIKey
XJIPIQGQVBYMHD-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O3
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.04225
Names & identifiers
- Preferred name
- CID 20077089
- IUPAC
- tert-butyl 2-(3-bromo-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
Names & synonyms
3017211-16-1tert-butyl 2-(3-bromo-1,2-oxazol-5-yl)pyrrolidine-1-carboxylatetert-Butyl 2-(3-bromoisoxazol-5-yl)pyrrolidine-1-carboxylate
Database identifiers
- CAS
3017211-16-1- PubChem CID
- 20077089
- EC Number
- 181-969-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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