2,4,5-Trifluoro-3-methylbenzoic Acid - CAS 112822-85-2
Catalog: |
BB003052 |
Product Name: |
2,4,5-Trifluoro-3-methylbenzoic Acid |
CAS: |
112822-85-2 |
Synonyms: |
2,4,5-trifluoro-3-methylbenzoic acid; 2,4,5-trifluoro-3-methylbenzoic acid |
IUPAC Name: | 2,4,5-trifluoro-3-methylbenzoic acid |
Description: | 2,4,5-Trifluoro-3-methylbenzoic Acid (CAS# 112822-85-2) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | CC1=C(C(=CC(=C1F)F)C(=O)O)F |
InChI: | InChI=1S/C8H5F3O2/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2H,1H3,(H,12,13) |
InChI Key: | CISXRFRLKWCFJS-UHFFFAOYSA-N |
Boiling Point: | 256.8 °C at 760 mmHg |
Density: | 1.452 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD04972492 |
LogP: | 2.11050 |
Publication Number | Title | Priority Date |
US-2020199092-A1 | Selective fluorescent probe for aldehyde dehydrogenase | 20181221 |
CA-3027827-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
EP-3473616-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
JP-6322772-B1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20160615 |
JP-WO2017217441-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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
-
[3886-90-6]
N,N-dimethyloctadecanamide
-
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
-
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
-
[100644-65-3]
6-Amino-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
-
[70406-92-7]
N-(6-Amino-2,3-dichlorobenzyl)glycine ethyl ester
INDUSTRY LEADERS TRUST OUR PRODUCTS