| CAS Number | 31295-65-5 |
| Catalog Number | AG01DD1C(AGN-PC-0092PD) |
| Chemical Name | 4-Bromo-5-methyl-3-phenylisoxazole |
| IUPAC Name | 4-bromo-5-methyl-3-phenyl-1,2-oxazole |
| InChI | InChI=1S/C10H8BrNO/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChI Key | BOAIRCXZUYJGKO-UHFFFAOYSA-N |
| MDL Number | MFCD27939282 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | CC1=C(Br)C(C2=CC=CC=C2)=NO1 |
| Synonyms | 4-Bromo-5-methyl-3-phenylisoxazole,
31295-65-5,
3-phenyl-4-bromo-5-methylisoxazole,
4-bromo-5-methyl-3-phenyl-1,2-oxazole,
SCHEMBL989981,
BOAIRCXZUYJGKO-UHFFFAOYSA-N,
ZINC98178122,
FCH2503161,
Isoxazole, 4-bromo-5-methyl-3-phenyl-,
AJ-139227,
AX8285156,
CID11436332,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number