3-Chloro-2-fluoro-5-(trifluoromethyl)aniline - CAS 126538-85-0
Catalog: |
BB006603 |
Product Name: |
3-Chloro-2-fluoro-5-(trifluoromethyl)aniline |
CAS: |
126538-85-0 |
Synonyms: |
3-chloro-2-fluoro-5-(trifluoromethyl)aniline; 3-chloro-2-fluoro-5-(trifluoromethyl)aniline |
IUPAC Name: | 3-chloro-2-fluoro-5-(trifluoromethyl)aniline |
Description: | 3-Chloro-2-fluoro-5-(trifluoromethyl)aniline (CAS# 126538-85-0 ) is a useful research chemical. |
Molecular Weight: | 213.56 |
Molecular Formula: | C7H4ClF4N |
Canonical SMILES: | C1=C(C=C(C(=C1N)F)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H4ClF4N/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2H,13H2 |
InChI Key: | RRQSEOPUKUHLCT-UHFFFAOYSA-N |
LogP: | 3.66130 |
Publication Number | Title | Priority Date |
EP-0553119-A1 | Heterocyclic compounds | 19901016 |
US-5187176-A | 1-phenyl substituted pyrimidone derivatives | 19901016 |
EP-0408196-A2 | Pyrazinone derivatives as insecticides | 19890712 |
EP-0408196-A3 | Pyrazinone derivatives as insecticides | 19890712 |
US-5079251-A | Novel compounds | 19890712 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.9968395 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.9968395 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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