2-(2-Chlorophenyl)-4,5-dihydro-4,4-dimethyloxazole
Basic information
- CAS
98191-99-2- Standard SMILES
CC1(C)COC(c2ccccc2Cl)=N1- InChIKey
VOMZEVDJNHHMLC-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO
- Average molar mass
- 209.67 g/mol
- Monoisotopic mass
- 209.0607417
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-4,5-dihydro-4,4-dimethyloxazole
- IUPAC
- 2-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
- English name
- 2-(2-Chlorophenyl)-4,5-dihydro-4,4-dimethyloxazole
- Molecular formula
- C11H12ClNO
- Molecular weight
- 209.67
Names & synonyms
98191-99-22-(2-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE2-(2-Chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole2-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazoleoxazole, 2-(2-chlorophenyl)-4,5-dihydro-4,4-dimethyl-2-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleMFCD05149239SCHEMBL9842227DTXSID10348682AB3560DB-148040CS-0335813
Show more names
2-(2-chlorophenyl)-4,4-dimethyl-5H-oxazoleF334104InChI=1/C11H12ClNO/c1-11(2)7-14-10(13-11)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H
Database identifiers
- CAS
98191-99-2- PubChem CID
- 639977
- DTXSID
DTXSID10348682- Nikkaji
- J1.223.275F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 140 · 140-142 °C(Press: 20 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…