2-(3-Bromophenyl)-4,5-dihydro-1,3-oxazole - CAS 792913-45-2
Catalog: |
BB071309 |
Product Name: |
2-(3-Bromophenyl)-4,5-dihydro-1,3-oxazole |
CAS: |
792913-45-2 |
Synonyms: |
2-(3-bromophenyl)-4,5-dihydro-1,3-oxazole; 2-(3-Bromophenyl)-2-oxazoline |
IUPAC Name: | 2-(3-bromophenyl)-4,5-dihydro-1,3-oxazole |
Description: | 2-(3-Bromophenyl)-4,5-dihydro-1,3-oxazole |
Molecular Weight: | 226.07 |
Molecular Formula: | C9H8BrNO |
Canonical SMILES: | C1COC(=N1)C2=CC(=CC=C2)Br |
InChI: | InChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2 |
InChI Key: | SJJQTHCDSIMQGE-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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