5-(Chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole - CAS 476473-97-9
Catalog: |
BB055556 |
Product Name: |
5-(Chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole |
CAS: |
476473-97-9 |
Synonyms: |
5-Chloromethyl-2,2-difluorobenzo[1,3]dioxole; 5-Chloromethyl-2,2-difluorobenzodioxole |
IUPAC Name: | 5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole |
Description: | 5-(Chloromethyl)-2,2-difluorobenzo[d][1,3]dioxole is used to prepare substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazoles as TGF-β signal transduction inhibitors. |
Molecular Weight: | 206.57 |
Molecular Formula: | C8H5ClF2O2 |
Canonical SMILES: | C1=CC2=C(C=C1CCl)OC(O2)(F)F |
InChI: | InChI=1S/C8H5ClF2O2/c9-4-5-1-2-6-7(3-5)13-8(10,11)12-6/h1-3H,4H2 |
InChI Key: | TWIROCHBZRSMEC-UHFFFAOYSA-N |
References: | Sawyer, J., et al. PCT Int. Appl., WO 2002094833 A1 20021128 (2002). |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9946134 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9946134 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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