3-(Chloromethyl)phenyl 2,2-difluoroethyl ether - CAS 1183018-51-0
Catalog: |
BB050962 |
Product Name: |
3-(Chloromethyl)phenyl 2,2-difluoroethyl ether |
CAS: |
1183018-51-0 |
Synonyms: |
Benzene, 1-(chloromethyl)-3-(2,2-difluoroethoxy)- |
IUPAC Name: | 1-(chloromethyl)-3-(2,2-difluoroethoxy)benzene |
Molecular Weight: | 206.61 |
Molecular Formula: | C9H9ClF2O |
Canonical SMILES: | C1=CC(=CC(=C1)OCC(F)F)CCl |
InChI: | InChI=1S/C9H9ClF2O/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4,9H,5-6H2 |
InChI Key: | UNXQLKQPTHUEEE-UHFFFAOYSA-N |
Boiling Point: | 258.1±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.223±0.06 g/cm3 (Predicted) |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0309989 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0309989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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