Methyl 4-(Trifluoromethoxy)-1H-indole-2-carboxylate - CAS 1154319-83-1
Catalog: |
BB072816 |
Product Name: |
Methyl 4-(Trifluoromethoxy)-1H-indole-2-carboxylate |
CAS: |
1154319-83-1 |
Synonyms: |
methyl 4-(trifluoromethoxy)-1H-indole-2-carboxylate; methyl4-(trifluoromethoxy)-1H-indole-2-carboxylate |
IUPAC Name: | methyl 4-(trifluoromethoxy)-1H-indole-2-carboxylate |
Molecular Weight: | 259.18 |
Molecular Formula: | C11H8NO3F3 |
Canonical SMILES: | COC(=O)C1=CC2=C(N1)C=CC=C2OC(F)(F)F |
InChI: | InChI=1S/C11H8F3NO3/c1-17-10(16)8-5-6-7(15-8)3-2-4-9(6)18-11(12,13)14/h2-5,15H,1H3 |
InChI Key: | WHHAFUVQADNZSK-UHFFFAOYSA-N |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0456276 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0456276 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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