2-(Difluoromethyl)benzonitrile - CAS 799814-30-5
Catalog: |
BB036441 |
Product Name: |
2-(Difluoromethyl)benzonitrile |
CAS: |
799814-30-5 |
Synonyms: |
2-(difluoromethyl)benzonitrile; 2-(difluoromethyl)benzonitrile |
IUPAC Name: | 2-(difluoromethyl)benzonitrile |
Description: | 2-(Difluoromethyl)benzonitrile (CAS# 799814-30-5) is a useful research chemical. |
Molecular Weight: | 153.13 |
Molecular Formula: | C8H5F2N |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C(F)F |
InChI: | InChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
InChI Key: | VZLPLYDPKXQAIA-UHFFFAOYSA-N |
LogP: | 2.49588 |
Publication Number | Title | Priority Date |
KR-20190129083-A | Tetrahydroquinoline Derivatives as P2X7 Receptor Antagonists | 20170313 |
JP-2016179945-A | Difluoromethylzinc compound | 20150323 |
JP-6556476-B2 | Difluoromethylzinc compound | 20150323 |
CN-105085433-A | Substituted-amide phenolic compound, preparation method, pharmaceutical composition and application thereof | 20140519 |
CN-105085433-B | Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes | 20140519 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.03900549 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.03900549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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