| CAS Number | 149045-79-4 |
| Catalog Number | AG00HXOG(AGN-PC-0NEDEG) |
| Chemical Name | 5,6-Dichloro-2,2-difluoro-1,3-benzodioxole |
| IUPAC Name | 5,6-dichloro-2,2-difluoro-1,3-benzodioxole |
| InChI | InChI=1S/C7H2Cl2F2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H |
| InChI Key | VDFORELLOFIVJI-UHFFFAOYSA-N |
| MDL Number | MFCD09759043 |
| Molecular Formula | C7H2Cl2F2O2 |
| Molecular Weight | 226.9924 |
| SMILES | FC1(F)Oc2c(O1)cc(c(c2)Cl)Cl |
| Synonyms | 149045-79-4,
5,6-Dichloro-2,2-difluorobenzo[d][1,3]dioxole,
5,6-dichloro-2,2-difluoro-benzo[1,3]dioxole,
SCHEMBL8759431,
VDFORELLOFIVJI-UHFFFAOYSA-N,
ZINC39320666,
5,6-dichloro-2,2-difluorobenzo[1.3]dioxole,
5,6-DICHLORO-2,2-DIFLUORO-1,3-BENZODIOXOLE,
CID11009682,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.988g/mol |
| Monoisotopic Mass | 225.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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