| CAS Number | 448956-54-5 |
| Catalog Number | AG00I8H3(AGN-PC-0WCLO1) |
| Chemical Name | 4-(Allyloxy)-2-fluorobenzonitrile |
| IUPAC Name | 2-fluoro-4-prop-2-enoxybenzonitrile |
| InChI | InChI=1S/C10H8FNO/c1-2-5-13-9-4-3-8(7-12)10(11)6-9/h2-4,6H,1,5H2 |
| InChI Key | HRFHZCVQCLPBHG-UHFFFAOYSA-N |
| MDL Number | MFCD23723185 |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.1750 |
| SMILES | Fc1cc(OCC=C)ccc1C#N |
| Synonyms | 4-(allyloxy)-2-fluorobenzonitrile,
448956-54-5,
4-Allyloxy-2-fluoro-benzonitrile,
SCHEMBL3965716,
HRFHZCVQCLPBHG-UHFFFAOYSA-N,
MFCD23723185,
ZINC82644273,
AKOS017391331,
CS-0036571,
A1-01336,
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| Complexity | 220 |
| 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 | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number