Methyl 5-Nitro-2-(trifluoromethoxy)benzoate - CAS 307989-42-0
Catalog: |
BB020728 |
Product Name: |
Methyl 5-Nitro-2-(trifluoromethoxy)benzoate |
CAS: |
307989-42-0 |
Synonyms: |
5-nitro-2-(trifluoromethoxy)benzoic acid methyl ester; methyl 5-nitro-2-(trifluoromethoxy)benzoate |
IUPAC Name: | methyl 5-nitro-2-(trifluoromethoxy)benzoate |
Description: | Methyl 5-Nitro-2-(trifluoromethoxy)benzoate (CAS# 307989-42-0 ) is a useful research chemical. |
Molecular Weight: | 265.14 |
Molecular Formula: | C9H6F3NO5 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC(F)(F)F |
InChI: | InChI=1S/C9H6F3NO5/c1-17-8(14)6-4-5(13(15)16)2-3-7(6)18-9(10,11)12/h2-4H,1H3 |
InChI Key: | DHUVHNWENISJQN-UHFFFAOYSA-N |
LogP: | 2.80320 |
Publication Number | Title | Priority Date |
US-2017281641-A1 | CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS | 20140903 |
US-2004248884-A1 | Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors | 20030131 |
US-2008108654-A1 | Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors | 20030131 |
US-7354933-B2 | Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors | 20030131 |
US-7825115-B2 | Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors | 20030131 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.01980678 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.01980678 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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