5-Bromo-2-(trifluoromethyl)benzoic Acid - CAS 654-97-7
Catalog: |
BB032745 |
Product Name: |
5-Bromo-2-(trifluoromethyl)benzoic Acid |
CAS: |
654-97-7 |
Synonyms: |
5-bromo-2-(trifluoromethyl)benzoic acid; 5-bromo-2-(trifluoromethyl)benzoic acid |
IUPAC Name: | 5-bromo-2-(trifluoromethyl)benzoic acid |
Description: | Used for preparation of 3-(anilinomethylene)oxindoles and analogs as protein tyrosine kinase and protein serine/threonine kinase inhibitors. |
Molecular Weight: | 269.02 |
Molecular Formula: | C8H4BrF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H4BrF3O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14) |
InChI Key: | SWSCMXZZHFRZLX-UHFFFAOYSA-N |
LogP: | 3.16610 |
Publication Number | Title | Priority Date |
WO-2020092621-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
TW-202033522-A | Substituted 6-azabenzimidazole compounds | 20181031 |
US-2021115037-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-113227089-A | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
EP-3873903-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.93468 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.93468 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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