5-Bromo-2-(trifluoromethoxy)benzonitrile - CAS 1210906-15-2
Catalog: |
BB062083 |
Product Name: |
5-Bromo-2-(trifluoromethoxy)benzonitrile |
CAS: |
1210906-15-2 |
Synonyms: |
5-Bromo-2-(trifluoromethoxy)benzonitrile; 5-BROMO-2-(TRIFLUOROMETHOXYL)BENZONITRILE |
IUPAC Name: | 5-bromo-2-(trifluoromethoxy)benzonitrile |
Description: | 5-Bromo-2-(trifluoromethoxy)benzonitrile |
Molecular Weight: | 266.02 |
Molecular Formula: | C8H3BrF3NO |
Canonical SMILES: | C1=CC(=C(C=C1Br)C#N)OC(F)(F)F |
InChI: | InChI=1S/C8H3BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H |
InChI Key: | XYVAUHKIIHYPAX-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.93501 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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