4-Bromo-3-(trifluoromethyl)benzaldehyde Dimethyl Acetal - CAS 1314987-38-6
Catalog: |
BB071517 |
Product Name: |
4-Bromo-3-(trifluoromethyl)benzaldehyde Dimethyl Acetal |
CAS: |
1314987-38-6 |
Synonyms: |
1-Bromo-4-(dimethoxymethyl)-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-4-(dimethoxymethyl)-2-(trifluoromethyl)benzene |
Description: | 4-Bromo-3-(trifluoromethyl)benzaldehyde Dimethyl Acetal |
Molecular Weight: | 299.08 |
Molecular Formula: | C10H10BrF3O2 |
Canonical SMILES: | COC(C1=CC(=C(C=C1)Br)C(F)(F)F)OC |
InChI: | InChI=1S/C10H10BrF3O2/c1-15-9(16-2)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9H,1-2H3 |
InChI Key: | VJXCLYNQGFPBNV-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.98163 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.98163 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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