3,4,6-Trifluoro-2-methylbenzoic Acid - CAS 119916-22-2
Catalog: |
BB004683 |
Product Name: |
3,4,6-Trifluoro-2-methylbenzoic Acid |
CAS: |
119916-22-2 |
Synonyms: |
3,4,6-trifluoro-2-methylbenzoic acid; 3,4,6-trifluoro-2-methylbenzoic acid |
IUPAC Name: | 3,4,6-trifluoro-2-methylbenzoic acid |
Description: | 3,4,6-Trifluoro-2-methylbenzoic Acid (CAS# 119916-22-2) is an intermediate in the synthesis of dl-Grepafloxacin (G783000), which is an antibacterial compound used to treat various respirator infections. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | CC1=C(C(=CC(=C1F)F)F)C(=O)O |
InChI: | InChI=1S/C8H5F3O2/c1-3-6(8(12)13)4(9)2-5(10)7(3)11/h2H,1H3,(H,12,13) |
InChI Key: | ZWSKKNZVRSHNGN-UHFFFAOYSA-N |
Boiling Point: | 256.2 °C at 760 mmHg |
Density: | 1.452 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.11050 |
Publication Number | Title | Priority Date |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
AU-2017285689-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
CA-3027827-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
CN-109311818-A | Novel pyridone carboxylic acid derivatives or its salt | 20160615 |
EP-3473616-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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