2-Methyl-5-(trifluoromethyl)benzonitrile - CAS 261952-03-8
Catalog: |
BB019187 |
Product Name: |
2-Methyl-5-(trifluoromethyl)benzonitrile |
CAS: |
261952-03-8 |
Synonyms: |
2-methyl-5-(trifluoromethyl)benzonitrile; 2-methyl-5-(trifluoromethyl)benzonitrile |
IUPAC Name: | 2-methyl-5-(trifluoromethyl)benzonitrile |
Description: | 2-Methyl-5-(trifluoromethyl)benzonitrile (CAS# 261952-03-8) is a useful research chemical compound. |
Molecular Weight: | 185.15 |
Molecular Formula: | C9H6F3N |
Canonical SMILES: | CC1=C(C=C(C=C1)C(F)(F)F)C#N |
InChI: | InChI=1S/C9H6F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,1H3 |
InChI Key: | NKYUMNAHEJWIND-UHFFFAOYSA-N |
Boiling Point: | 213.7 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD01631594 |
LogP: | 2.88548 |
Publication Number | Title | Priority Date |
CN-112457265-A | Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition | 20201106 |
WO-2021126693-A1 | Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 20191218 |
WO-2020210139-A1 | Pyrazolesulfonamides as antitumor agents | 20190410 |
US-10604507-B2 | Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof | 20180605 |
US-2021002254-A1 | Melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 20180605 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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