3-Chloro-4-(trifluoromethoxy)benzonitrile - CAS 129604-26-8
Catalog: |
BB007002 |
Product Name: |
3-Chloro-4-(trifluoromethoxy)benzonitrile |
CAS: |
129604-26-8 |
Synonyms: |
3-chloro-4-(trifluoromethoxy)benzonitrile; 3-chloro-4-(trifluoromethoxy)benzonitrile |
IUPAC Name: | 3-chloro-4-(trifluoromethoxy)benzonitrile |
Description: | 3-Chloro-4-(trifluoromethoxy)benzonitrile (CAS# 129604-26-8) is a useful research chemical. |
Molecular Weight: | 221.56 |
Molecular Formula: | C8H3ClF3NO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Cl)OC(F)(F)F |
InChI: | InChI=1S/C8H3ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H |
InChI Key: | ITKCOGUNHYXLND-UHFFFAOYSA-N |
Boiling Point: | 222.5 ℃ at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01631557 |
LogP: | 3.11028 |
Publication Number | Title | Priority Date |
AU-2015342021-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
AU-2015342021-B2 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
BR-112017009207-A2 | piperidinylpyrazolopyrimidinones and their use | 20141103 |
CA-2966259-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9855259 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9855259 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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