2-Bromo-6-(trifluoromethyl)nicotinaldehyde - CAS 1192263-89-0
Catalog: |
BB071515 |
Product Name: |
2-Bromo-6-(trifluoromethyl)nicotinaldehyde |
CAS: |
1192263-89-0 |
Synonyms: |
2-Bromo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde |
IUPAC Name: | 2-bromo-6-(trifluoromethyl)pyridine-3-carbaldehyde |
Description: | 2-Bromo-6-(trifluoromethyl)nicotinaldehyde |
Molecular Weight: | 254 |
Molecular Formula: | C7H3BrF3NO |
Canonical SMILES: | C1=CC(=NC(=C1C=O)Br)C(F)(F)F |
InChI: | InChI=1S/C7H3BrF3NO/c8-6-4(3-13)1-2-5(12-6)7(9,10)11/h1-3H |
InChI Key: | ASPYNUKRQBNFIT-UHFFFAOYSA-N |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.93501 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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