| CAS Number | 1373278-76-2 |
| Catalog Number | AG01DIVP(AGN-PC-0HV0ED) |
| Chemical Name | 6-fluoro-2-(prop-1-en-2-yl)-1,3-benzoxazole |
| IUPAC Name | 6-fluoro-2-prop-1-en-2-yl-1,3-benzoxazole |
| InChI | InChI=1S/C10H8FNO/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-5H,1H2,2H3 |
| InChI Key | OBEHGIRCPGAHSM-UHFFFAOYSA-N |
| MDL Number | MFCD28681041 |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.1750 |
| SMILES | CC(C1OC2=C(C=CC(=C2)F)N=1)=C |
| Synonyms | 6-fluoro-2-(prop-1-en-2-yl)benzo[d]oxazole,
1373278-76-2,
SCHEMBL12469642,
OBEHGIRCPGAHSM-UHFFFAOYSA-N,
AKOS030632689,
Benzoxazole, 6-fluoro-2-(1-methylethenyl)-,
CS-0062229,
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-carboxamide,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.178g/mol |
| Monoisotopic Mass | 177.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number