2-Methoxy-3-(trifluoromethyl)benzyl alcohol - CAS 1017778-74-3
Catalog: |
BB075908 |
Product Name: |
2-Methoxy-3-(trifluoromethyl)benzyl alcohol |
CAS: |
1017778-74-3 |
Synonyms: |
2-METHOXY-3-(TRIFLUOROMETHYL)BENZYL ALCOHOL; (2-Methoxy-3-(trifluoromethyl)phenyl)methanol; [2-methoxy-3-(trifluoromethyl)phenyl]methanol |
IUPAC Name: | [2-methoxy-3-(trifluoromethyl)phenyl]methanol |
Description: | 2-Methoxy-3-(trifluoromethyl)benzyl alcohol |
Molecular Weight: | 206.16 |
Molecular Formula: | C9H9F3O2 |
Canonical SMILES: | COC1=C(C=CC=C1C(F)(F)F)CO |
InChI: | InChI=1S/C9H9F3O2/c1-14-8-6(5-13)3-2-4-7(8)9(10,11)12/h2-4,13H,5H2,1H3 |
InChI Key: | AEJHNFSKLDVXOW-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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