| CAS Number | 915921-35-6 |
| Catalog Number | AG006TER(AGN-PC-0WB3DF) |
| Chemical Name | 5-Bromo-2-isopropyl-1,3-benzoxazole |
| IUPAC Name | 5-bromo-2-propan-2-yl-1,3-benzoxazole |
| InChI | InChI=1S/C10H10BrNO/c1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,1-2H3 |
| InChI Key | JEWWNROYPLFJMP-UHFFFAOYSA-N |
| MDL Number | MFCD08691457 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | N1C2=CC(Br)=CC=C2OC=1C(C)C |
| Synonyms | 915921-35-6,
5-BROMO-2-ISOPROPYL-1,3-BENZOXAZOLE,
5-Bromo-2-isopropylbenzo[d]oxazole,
5-Bromo-2-(propan-2-yl)-1,3-benzoxazole,
SCHEMBL1549911,
CTK5G9971,
DTXSID60650828,
ZX-CM003232,
FCH932939,
MFCD08691457,
ZINC19088901,
AKOS006337404,
AJ-71069,
Benzoxazole, 5-bromo-2-(1-methylethyl)-,
Y-4150,
CHEMBRDG-BB4009612,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number