4-Bromo-5-phenylisoxazole - CAS 10557-73-0
Catalog: |
BB070706 |
Product Name: |
4-Bromo-5-phenylisoxazole |
CAS: |
10557-73-0 |
Synonyms: |
4-bromo-5-phenylisoxazole; 4-Bromo-5-phenyl-1,2-oxazole; Isoxazole, 4-bromo-5-phenyl-; 4-Bromo-5-phenylisoxazole, AldrichCPR |
IUPAC Name: | 4-bromo-5-phenyl-1,2-oxazole |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6NOBr |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C=NO2)Br |
InChI: | InChI=1S/C9H6BrNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H |
InChI Key: | OPNQYKVNIGKUAF-UHFFFAOYSA-N |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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