| CAS Number | 1138445-14-3 |
| Catalog Number | AG0009VG(AGN-PC-0WC0BM) |
| Chemical Name | Benzene, 1-(1,1-difluoroethyl)-2-fluoro- |
| IUPAC Name | 1-(1,1-difluoroethyl)-2-fluorobenzene |
| InChI | InChI=1S/C8H7F3/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChI Key | CMYVOOREJIMEGA-UHFFFAOYSA-N |
| MDL Number | MFCD11845814 |
| Molecular Formula | C8H7F3 |
| Molecular Weight | 160.1364 |
| SMILES | C(C)(F)(F)c1c(F)cccc1 |
| Synonyms | 1-(1,1-DIFLUOROETHYL)-2-FLUOROBENZENE,
1138445-14-3,
SCHEMBL11415516,
CTK7C2338,
ZINC66330543,
AKOS005256132,
TR-057137,
Benzene, 1-(1,1-difluoroethyl)-2-fluoro-,
CS-0068800,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.139g/mol |
| Monoisotopic Mass | 160.05g/mol |
| Rotatable Bond Count | 1 |
| 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
Lot Number