2-(3-Bromo-2-methylphenyl)-4,5-dihydro-4,4-dimethyl-oxazole - CAS 868975-15-9
Catalog: |
BB072067 |
Product Name: |
2-(3-Bromo-2-methylphenyl)-4,5-dihydro-4,4-dimethyl-oxazole |
CAS: |
868975-15-9 |
Synonyms: |
2-(3-Bromo-2-methylphenyl)-4,5-dihydro-4,4-dimethyl-oxazole; 2-(3-bromo-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole; 2-(3-Bromo-2-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole; 2-(3-bromo-2-methylphenyl)-4,5-dihydro-4,4-dimethylOxazole |
IUPAC Name: | 2-(3-bromo-2-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole |
Description: | 2-(3-Bromo-2-methylphenyl)-4,5-dihydro-4,4-dimethyl-oxazole is a reactant used in the preparation of hydroxymethylphenylethylimidazolethione derivatives for use in treatment of chronic pain. |
Molecular Weight: | 268.15 |
Molecular Formula: | C12H14BrNO |
Canonical SMILES: | CC1=C(C=CC=C1Br)C2=NC(CO2)(C)C |
InChI: | InChI=1S/C12H14BrNO/c1-8-9(5-4-6-10(8)13)11-14-12(2,3)7-15-11/h4-6H,7H2,1-3H3 |
InChI Key: | MXMYLLJMIQXGFC-UHFFFAOYSA-N |
Solubility: | Chloroform, Methanol (Sloghtly) |
Appearance: | Off-White to Pale Yellow Low Melting Solid |
Storage: | -20°C Freezer |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.02588 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.02588 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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