2-Bromo-4-(trifluoromethoxy)benzonitrile - CAS 1214334-83-4
Catalog: |
BB005144 |
Product Name: |
2-Bromo-4-(trifluoromethoxy)benzonitrile |
CAS: |
1214334-83-4 |
Synonyms: |
2-bromo-4-(trifluoromethoxy)benzonitrile; 2-bromo-4-(trifluoromethoxy)benzonitrile |
IUPAC Name: | 2-bromo-4-(trifluoromethoxy)benzonitrile |
Description: | 2-Bromo-4-(trifluoromethoxy)benzonitrile (CAS# 1214334-83-4) is a useful research chemical. |
Molecular Weight: | 266.01 |
Molecular Formula: | C8H3BrF3NO |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)Br)C#N |
InChI: | InChI=1S/C8H3BrF3NO/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3H |
InChI Key: | KQXCJMGFMNVWGL-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD13185874 |
LogP: | 3.21938 |
Publication Number | Title | Priority Date |
US-2015057271-A1 | Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors | 20120213 |
US-9346798-B2 | Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors | 20120213 |
HU-9902413-A2 | Spiro-piperidine derivatives, process for their preparation, their use and pharmaceutical compositions containing them | 19970617 |
AU-722541-B2 | Spiro-piperidine derivatives and their use as therapeutic agents | 19960621 |
CN-1223656-A | Spiro-piperidine derivatives and their use as therapeutic agents | 19960621 |
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: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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