4-Chloro-6-(trifluoromethyl)-1,2,3-benzotriazole - CAS 1086836-70-5
Catalog: |
BB055624 |
Product Name: |
4-Chloro-6-(trifluoromethyl)-1,2,3-benzotriazole |
CAS: |
1086836-70-5 |
Synonyms: |
4-Chloro-6-(trifluoromethyl)-1,2,3-benzotriazole; 4-chloro-6-(trifluoromethyl)-2H-benzotriazole; 4-chloro-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazole |
IUPAC Name: | 4-chloro-6-(trifluoromethyl)-2H-benzotriazole |
Description: | 4-Chloro-6-(trifluoromethyl)-1,2,3-benzotriazole |
Molecular Weight: | 221.57 |
Molecular Formula: | C7H3ClF3N3 |
Canonical SMILES: | C1=C(C=C(C2=NNN=C21)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H3ClF3N3/c8-4-1-3(7(9,10)11)2-5-6(4)13-14-12-5/h1-2H,(H,12,13,14) |
InChI Key: | SWXYNBPMJGFRGI-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9967593 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9967593 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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