3-Chloro-5-(trifluoromethyl)-1H-1,2,4-triazole - CAS 1199215-88-7
Catalog: |
BB004686 |
Product Name: |
3-Chloro-5-(trifluoromethyl)-1H-1,2,4-triazole |
CAS: |
1199215-88-7 |
Synonyms: |
3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole |
IUPAC Name: | 3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole |
Description: | 3-Chloro-5-(trifluoromethyl)-1H-1,2,4-triazole (CAS# 1199215-88-7) is a useful research chemical. |
Molecular Weight: | 171.51 |
Molecular Formula: | C3HClF3N3 |
Canonical SMILES: | C1(=NC(=NN1)Cl)C(F)(F)F |
InChI: | InChI=1S/C3HClF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10) |
InChI Key: | XRZFEFMCIGCKEH-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 1.47690 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.9811092 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.9811092 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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