4-Bromo-2-methoxybenzotrifluoride - CAS 944805-63-4
Catalog: |
BB041341 |
Product Name: |
4-Bromo-2-methoxybenzotrifluoride |
CAS: |
944805-63-4 |
Synonyms: |
4-bromo-2-methoxy-1-(trifluoromethyl)benzene; 4-bromo-2-methoxy-1-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-2-methoxy-1-(trifluoromethyl)benzene |
Description: | 4-Bromo-2-methoxybenzotrifluoride (CAS# 944805-63-4) is a useful research chemical. |
Molecular Weight: | 255.03 |
Molecular Formula: | C8H6BrF3O |
Canonical SMILES: | COC1=C(C=CC(=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3O/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3 |
InChI Key: | SNOPVNVACJOOAY-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.47650 |
Publication Number | Title | Priority Date |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
US-2021137908-A1 | 5-ht2a agonists for use in treatment of depression | 20191107 |
US-2021330658-A1 | 5-ht2a agonists for use in treatment of depression | 20191107 |
WO-2021089824-A1 | 5-ht2a agonists for use in treatment of depression | 20191107 |
CN-110337295-A | Compound and their application method | 20161128 |
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: | 3.5 |
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