| CAS Number | 62893-29-2 |
| Catalog Number | AG01B8GZ(AGN-PC-0JDECT) |
| Chemical Name | 4-(4-Bromophenyl)isoxazole |
| IUPAC Name | 4-(4-bromophenyl)-1,2-oxazole |
| InChI | InChI=1S/C9H6BrNO/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H |
| InChI Key | MBACWFQFZUREBZ-UHFFFAOYSA-N |
| MDL Number | MFCD22422210 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.0540 |
| SMILES | BrC1=CC=C(C=C1)C=1C=NOC1 |
| Synonyms | 4-(4-Bromophenyl)-1,2-oxazole,
62893-29-2,
4-(4-Bromophenyl)isoxazole,
4-(4-Bromophenyl)-isoxazole,
CTK1I8824,
Isoxazole, 4-(4-bromophenyl)-,
DTXSID40796490,
MFCD22422210,
ZINC82361917,
AKOS022688080,
Z2757554244,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.057g/mol |
| Monoisotopic Mass | 222.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number