Basic information
- CAS
33554-30-2- Standard SMILES
CC1(C)COC(c2ccc(Cl)cc2)=N1- InChIKey
XCQDCQKNZXMXGM-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO
- Average molar mass
- 209.67 g/mol
- Monoisotopic mass
- 209.0607417
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- IUPAC
- 2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
- English name
- 2-(4-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE
- Molecular formula
- C11H12ClNO
- Molecular weight
- 209.67
Names & synonyms
33554-30-22-(4-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleDTXSID70348683oxazole, 2-(4-chlorophenyl)-4,5-dihydro-4,4-dimethyl-RefChem:252207DTXCID00299755InChI=1/C11H12ClNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H2-(4-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole2-(4-CHLOROPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE2-(4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazoleCambridge id 6116917SCHEMBL3762622
Show more names
2-(4-Chlorophenyl)-4,4-dimethyl-2-oxazoline
XCQDCQKNZXMXGM-UHFFFAOYSA-NSTL361425AKOS003596167CCG-107830DB-301828EU-0073482V103724-chlorophenyl- 4,4-dimethyl-4,5-dihydrooxazole
Database identifiers
- CAS
33554-30-2- PubChem CID
- 639989
- DTXSID
DTXSID70348683- Nikkaji
- J1.494.290D
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
- 242
Physicochemical properties
- Melting point
- 33 · 33-34 °C
- Boiling point
- 98 °C · 98 °C(Press: 20 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
4 records
Compound notes
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