| CAS Number | 1881332-54-2 |
| Catalog Number | AG00I2PY(AGN-PC-0WR7V3) |
| Chemical Name | 1-bromo-4,4-difluorocyclohex-1-ene |
| IUPAC Name | 1-bromo-4,4-difluorocyclohexene |
| InChI | InChI=1S/C6H7BrF2/c7-5-1-3-6(8,9)4-2-5/h1H,2-4H2 |
| InChI Key | VDVCIBBPVNAHOW-UHFFFAOYSA-N |
| MDL Number | MFCD29043775 |
| Molecular Formula | C6H7BrF2 |
| Molecular Weight | 197.0206 |
| SMILES | BrC1=CCC(CC1)(F)F |
| Synonyms | 1-BROMO-4,4-DIFLUOROCYCLOHEX-1-ENE,
1881332-54-2,
ZINC261494332,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.023g/mol |
| Monoisotopic Mass | 195.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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