3-Chloro-4-(trifluoromethyl)benzaldehyde - CAS 83279-38-3
Catalog: |
BB037009 |
Product Name: |
3-Chloro-4-(trifluoromethyl)benzaldehyde |
CAS: |
83279-38-3 |
Synonyms: |
3-chloro-4-(trifluoromethyl)benzaldehyde; 3-chloro-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 3-chloro-4-(trifluoromethyl)benzaldehyde |
Description: | 3-Chloro-4-(trifluoromethyl)benzaldehyde (CAS# 83279-38-3) is a useful research chemical. |
Molecular Weight: | 208.56 |
Molecular Formula: | C8H4ClF3O |
Canonical SMILES: | C1=CC(=C(C=C1C=O)Cl)C(F)(F)F |
InChI: | InChI=1S/C8H4ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H |
InChI Key: | UTSBZTCYCRVHCK-UHFFFAOYSA-N |
Boiling Point: | 232.9 ℃ at 760 mmHg |
Density: | 1.423 g/cm3 |
MDL: | MFCD03095197 |
LogP: | 3.17130 |
Publication Number | Title | Priority Date |
WO-2020185755-A1 | Tyk2 inhibitors and uses thereof | 20190311 |
EP-3455226-A1 | Spirocycle compounds and methods of making and using same | 20160512 |
US-10030020-B2 | Spirocycle compounds and methods of making and using same | 20160512 |
US-2017327500-A1 | Spirocycle compounds and methods of making and using same | 20160512 |
US-2020022977-A1 | Spirocycle compounds and methods of making and using same | 20160512 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9902769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9902769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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