| CAS Number | 868860-65-5 |
| Catalog Number | AG00IE90(AGN-PC-0WAMEO) |
| Chemical Name | 1-Allyl-3-bromo-5-fluorobenzene |
| IUPAC Name | 1-bromo-3-fluoro-5-prop-2-enylbenzene |
| InChI | InChI=1S/C9H8BrF/c1-2-3-7-4-8(10)6-9(11)5-7/h2,4-6H,1,3H2 |
| InChI Key | RICOTNMALOCCKV-UHFFFAOYSA-N |
| MDL Number | MFCD29075656 |
| Molecular Formula | C9H8BrF |
| Molecular Weight | 215.0622 |
| SMILES | FC1=CC(Br)=CC(CC=C)=C1 |
| Synonyms | 1-Allyl-3-bromo-5-fluorobenzene,
868860-65-5,
AK187914,
SCHEMBL5449546,
MFCD29075656,
AKOS026674287,
ZINC150036074,
DS-9852,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.065g/mol |
| Monoisotopic Mass | 213.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number