Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-
Basic information
- CAS
100098-77-9- Standard SMILES
CC1(C)COC(/C=C/c2cccc([N+](=O)[O-])c2)=N1.Cl- InChIKey
NWWWVRXFMWRQAM-UHDJGPCESA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-
- IUPAC
- 4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole;hydrochloride
Names & synonyms
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-100098-77-9RefChem:1094026(E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride(E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride
Database identifiers
- CAS
100098-77-9- PubChem CID
- 6447775
Properties
Computed structural properties
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…