2-Bromo-6-(trifluoromethoxy)benzaldehyde - CAS 1114809-17-4
Catalog: |
BB071518 |
Product Name: |
2-Bromo-6-(trifluoromethoxy)benzaldehyde |
CAS: |
1114809-17-4 |
Synonyms: |
2-Bromo-6-(trifluoromethoxy)benzaldehyde |
IUPAC Name: | 2-bromo-6-(trifluoromethoxy)benzaldehyde |
Molecular Weight: | 269.02 |
Molecular Formula: | C8H4BrF3O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)C=O)OC(F)(F)F |
InChI: | InChI=1S/C8H4BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-4H |
InChI Key: | DMQSWMRWBJCGFH-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.93468 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.93468 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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