4-(Trifluoromethyl)-1H-indole-2,3-dione - CAS 386-73-2
Catalog: |
BB042522 |
Product Name: |
4-(Trifluoromethyl)-1H-indole-2,3-dione |
CAS: |
386-73-2 |
Synonyms: |
4-Trifluoromethyl-1H-indole-2,3-dione; 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione |
IUPAC Name: | 4-(trifluoromethyl)-1H-indole-2,3-dione |
Description: | 4-(Trifluoromethyl)-1H-indole-2,3-dione (CAS# 386-73-2 ) is a useful research chemical. |
Molecular Weight: | 215.13 |
Molecular Formula: | C9H4F3NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1)NC(=O)C2=O)C(F)(F)F |
InChI: | InChI=1S/C9H4F3NO2/c10-9(11,12)4-2-1-3-5-6(4)7(14)8(15)13-5/h1-3H,(H,13,14,15) |
InChI Key: | RHIANQJNIOBETN-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.01941286 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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