Methyl 4-Amino-3-(trifluoromethyl)benzoate - CAS 167760-75-0
Catalog: |
BB012417 |
Product Name: |
Methyl 4-Amino-3-(trifluoromethyl)benzoate |
CAS: |
167760-75-0 |
Synonyms: |
4-amino-3-(trifluoromethyl)benzoic acid methyl ester; methyl 4-amino-3-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 4-amino-3-(trifluoromethyl)benzoate |
Description: | Methyl 4-Amino-3-(trifluoromethyl)benzoate (CAS# 167760-75-0 ) is a useful research chemical. |
Molecular Weight: | 219.16 |
Molecular Formula: | C9H8F3NO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)N)C(F)(F)F |
InChI: | InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,13H2,1H3 |
InChI Key: | CLKBQIFUKHNMQY-UHFFFAOYSA-N |
LogP: | 2.65540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121393-A | Aromatic amide compound and application thereof in medicines | 20191231 |
WO-2021136326-A1 | Aryl amide compound and application thereof in medicine | 20191231 |
WO-2021018173-A1 | Adenosine receptor antagonist | 20190730 |
EP-3504205-A1 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
JP-2019531271-A | Hormone receptor modulators for the treatment of metabolic disorders and disorders | 20160823 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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