| CAS Number | 1435806-39-5 |
| Catalog Number | AG00HWXT(AGN-PC-0WQZX4) |
| Chemical Name | 4-(Chloromethyl)-2,2-difluoro-1,3-benzodioxole |
| IUPAC Name | 4-(chloromethyl)-2,2-difluoro-1,3-benzodioxole |
| InChI | InChI=1S/C8H5ClF2O2/c9-4-5-2-1-3-6-7(5)13-8(10,11)12-6/h1-3H,4H2 |
| InChI Key | ZASZKFQADMACSA-UHFFFAOYSA-N |
| MDL Number | MFCD24842607 |
| Molecular Formula | C8H5ClF2O2 |
| Molecular Weight | 206.5739 |
| SMILES | FC1(OC2=C(C=CC=C2CCl)O1)F |
| Synonyms | 1435806-39-5,
4-(chloromethyl)-2,2-difluoro-2H-1,3-benzodioxole,
4-(Chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole,
4-(CHLOROMETHYL)-2,2-DIFLUORO-1,3-BENZODIOXOLE,
MFCD24842607,
ZINC91252130,
4-Chloromethyl-2,2-difluorobenzodioxole,
F1911-3816,
4-(Chloromethyl)-2,2-difiuorobenzodioxole,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.573g/mol |
| Monoisotopic Mass | 205.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number