2-Fluoro-4-methoxybenzotrifluoride - CAS 1214344-33-8
Catalog: |
BB064889 |
Product Name: |
2-Fluoro-4-methoxybenzotrifluoride |
CAS: |
1214344-33-8 |
Synonyms: |
2-Fluoro-4-methoxy-1-(trifluoromethyl)benzene; 2-Fluoro-4-methoxybenzotrifluoride; 3-Fluoro-4-(trifluoromethyl)anisole |
IUPAC Name: | 2-fluoro-4-methoxy-1-(trifluoromethyl)benzene |
Description: | 2-Fluoro-4-methoxybenzotrifluoride |
Molecular Weight: | 194.13 |
Molecular Formula: | C8H6F4O |
Canonical SMILES: | COC1=CC(=C(C=C1)C(F)(F)F)F |
InChI: | InChI=1S/C8H6F4O/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3 |
InChI Key: | KDNFXUTYCAGURB-UHFFFAOYSA-N |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03547746 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03547746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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