1-(1,1-Difluoroethyl)-2-fluorobenzene - CAS 1138445-14-3
Catalog: |
BB054415 |
Product Name: |
1-(1,1-Difluoroethyl)-2-fluorobenzene |
CAS: |
1138445-14-3 |
Synonyms: |
Benzene, 1-(1,1-difluoroethyl)-2-fluoro- |
IUPAC Name: | 1-(1,1-difluoroethyl)-2-fluorobenzene |
Molecular Weight: | 160.14 |
Molecular Formula: | C8H7F3 |
Canonical SMILES: | CC(C1=CC=CC=C1F)(F)F |
InChI: | InChI=1S/C8H7F3/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3 |
InChI Key: | CMYVOOREJIMEGA-UHFFFAOYSA-N |
Boiling Point: | 158.2±30.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.04998471 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.04998471 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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