| CAS Number | 1804875-58-8 |
| Catalog Number | AG00I02Y(AGN-PC-0WP1S1) |
| Chemical Name | 5-Chloro-1,2-difluoro-3-methoxybenzene |
| IUPAC Name | 5-chloro-1,2-difluoro-3-methoxybenzene |
| InChI | InChI=1S/C7H5ClF2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3 |
| InChI Key | RXDLGYBADNIFQI-UHFFFAOYSA-N |
| MDL Number | MFCD28750478 |
| Molecular Formula | C7H5ClF2O |
| Molecular Weight | 178.5638 |
| SMILES | COc1cc(Cl)cc(c1F)F |
| Synonyms | 5-CHLORO-1,2-DIFLUORO-3-METHOXYBENZENE,
1804875-58-8,
ZINC261494208,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.563g/mol |
| Monoisotopic Mass | 178g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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