Basic information
- CAS
1187932-81-5- Standard SMILES
NCCc1cc(Br)no1- InChIKey
QEIHHMYEMPGRHM-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2O
- Average molar mass
- 191.03 g/mol
- Monoisotopic mass
- 189.97418
Names & identifiers
- Preferred name
- 2-(3-Bromo-isoxazol-5-YL)-ethylamine
- IUPAC
- 2-(3-bromo-1,2-oxazol-5-yl)ethanamine
Names & synonyms
1187932-81-52-(3-BROMO-ISOXAZOL-5-YL)-ETHYLAMINE2-(3-bromo-1,2-oxazol-5-yl)ethan-1-amine2-(3-Bromoisoxazol-5-yl)ethan-1-amine2-(3-Bromo-5-isoxazolyl)ethanamine2-(3-bromo-1,2-oxazol-5-yl)ethanamineMFCD129137593-Bromo-5-isoxazoleethanamineDTXSID201307401SB31528SY338622EN300-2926497
Database identifiers
- CAS
1187932-81-5- PubChem CID
- 53407331
- DTXSID
DTXSID201307401
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…