1-(4-Fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylic Acid - CAS 887035-89-4
Catalog: |
BB039154 |
Product Name: |
1-(4-Fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylic Acid |
CAS: |
887035-89-4 |
Synonyms: |
1-(4-fluorophenyl)-5-methyl-4-triazolecarboxylic acid; 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid |
IUPAC Name: | 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid |
Description: | 1-(4-Fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylic Acid (CAS# 887035-89-4) is a useful research chemical. |
Molecular Weight: | 221.19 |
Molecular Formula: | C10H8FN3O2 |
Canonical SMILES: | CC1=C(N=NN1C2=CC=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C10H8FN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16) |
InChI Key: | AEXWTPJOQWLAFH-UHFFFAOYSA-N |
MDL: | MFCD07397776 |
LogP: | 1.41300 |
Publication Number | Title | Priority Date |
US-2020024289-A1 | Novel oxaborole analogs and uses thereof | 20170301 |
US-10961261-B2 | Oxaborole analogs and uses thereof | 20170301 |
US-2021253605-A1 | Novel oxaborole analogs and uses thereof | 20170301 |
AU-2012253402-A1 | Proteostasis regulators | 20110512 |
CA-2835610-A1 | Proteostasis regulators | 20110512 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06005467 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06005467 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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