2-Methyl-4-(trifluoromethoxy)bromobenzene - CAS 261951-96-6
Catalog: |
BB019186 |
Product Name: |
2-Methyl-4-(trifluoromethoxy)bromobenzene |
CAS: |
261951-96-6 |
Synonyms: |
1-bromo-2-methyl-4-(trifluoromethoxy)benzene |
IUPAC Name: | 1-bromo-2-methyl-4-(trifluoromethoxy)benzene |
Description: | 2-Methyl-4-(trifluoromethoxy)bromobenzene (CAS# 261951-96-6) is used to prepare acetyl-CoA carboxylase inhibitors for metabolic syndrome treatment. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | CC1=C(C=CC(=C1)OC(F)(F)F)Br |
InChI: | InChI=1S/C8H6BrF3O/c1-5-4-6(2-3-7(5)9)13-8(10,11)12/h2-4H,1H3 |
InChI Key: | ZKABPUGKDKWJIP-UHFFFAOYSA-N |
Boiling Point: | 197.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.559 g/cm3 |
Appearance: | Colorless to brown liquid |
MDL: | MFCD01631545 |
LogP: | 3.65610 |
Publication Number | Title | Priority Date |
US-2021253565-A1 | Monoacylglycerol lipase modulators | 20200210 |
WO-2021160602-A1 | Monoacylglycerol lipase modulators | 20200210 |
US-2020377506-A1 | Compounds and their methods of use | 20190528 |
WO-2020069322-A1 | Ion channel modulators | 20180928 |
EP-3856193-A1 | Ion channel modulators | 20180928 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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