3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde - CAS 138490-96-7
Catalog: |
BB008768 |
Product Name: |
3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde |
CAS: |
138490-96-7 |
Synonyms: |
3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde; 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde |
Description: | 3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde (CAS# 138490-96-7) is a useful research chemical. |
Molecular Weight: | 234.17 |
Molecular Formula: | C10H9F3O3 |
Canonical SMILES: | COC1=C(C(=C(C=C1)C=O)C(F)(F)F)OC |
InChI: | InChI=1S/C10H9F3O3/c1-15-7-4-3-6(5-14)8(9(7)16-2)10(11,12)13/h3-5H,1-2H3 |
InChI Key: | RVBGIIWJLAXZGT-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.53510 |
Publication Number | Title | Priority Date |
EP-2557082-A1 | Cephem compound having catechol group | 20100405 |
US-2013102583-A1 | Cephem compound having catechol group | 20100405 |
US-9145425-B2 | Cephem compound having catechol group | 20100405 |
CA-2483141-A1 | Novel trifluoromethylepinephrine compounds and methods of making and using thereof | 20020304 |
EP-1487784-A2 | Novel trifluoromethylepinephrine compounds and methods of making and using thereof | 20020304 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.05037863 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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