Methyl 3-Amino-4-(trifluoromethyl)benzoate - CAS 126541-82-0
Catalog: |
BB006604 |
Product Name: |
Methyl 3-Amino-4-(trifluoromethyl)benzoate |
CAS: |
126541-82-0 |
Synonyms: |
3-amino-4-(trifluoromethyl)benzoic acid methyl ester; methyl 3-amino-4-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 3-amino-4-(trifluoromethyl)benzoate |
Description: | Methyl 3-Amino-4-(trifluoromethyl)benzoate (CAS# 126541-82-0) is a useful research chemical. |
Molecular Weight: | 219.16 |
Molecular Formula: | C9H8F3NO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C(F)(F)F)N |
InChI: | InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-3-6(7(13)4-5)9(10,11)12/h2-4H,13H2,1H3 |
InChI Key: | GESWYDYJQMSAOJ-UHFFFAOYSA-N |
LogP: | 2.65540 |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
US-10632088-B2 | Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria | 20161010 |
US-2018098952-A1 | Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria | 20161010 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05071298 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05071298 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Amines and Anilines
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