3-Bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide - CAS 880652-44-8
Catalog: |
BB038726 |
Product Name: |
3-Bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide |
CAS: |
880652-44-8 |
Synonyms: |
3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide; 3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide |
IUPAC Name: | 3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide |
Description: | 3-Bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide (CAS# 880652-44-8 ) is a useful research chemical. |
Molecular Weight: | 312.08 |
Molecular Formula: | C10H9BrF3NO2 |
Canonical SMILES: | CN(C(=O)C1=CC(=CC(=C1)Br)C(F)(F)F)OC |
InChI: | InChI=1S/C10H9BrF3NO2/c1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,1-2H3 |
InChI Key: | SROCIXQQXPOPAQ-UHFFFAOYSA-N |
LogP: | 3.10130 |
Publication Number | Title | Priority Date |
US-2018072751-A1 | SHMT Inhibitors | 20160914 |
AU-2013224181-A1 | Novel neurokinin 1 receptor antagonist compounds | 20120222 |
CA-2864440-A1 | Novel neurokinin 1 receptor antagonist compounds | 20120222 |
EP-2817312-B1 | Novel neurokinin 1 receptor antagonist compounds | 20120222 |
JP-2015511240-A | Novel neurokinin 1 receptor antagonist compound | 20120222 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.97688 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.97688 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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