8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione - CAS 959236-83-0
Catalog: |
BB044354 |
Product Name: |
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione |
CAS: |
959236-83-0 |
Synonyms: |
8-(Trifluoromethoxy)-2,4(1H,3H)-quinazolinedione; 2,4(1H,3H)-Quinazolinedione, 8-(trifluoromethoxy)- |
IUPAC Name: | 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione |
Description: | 8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione (CAS# 959236-83-0 ) is a useful research chemical. |
Molecular Weight: | 246.14 |
Molecular Formula: | C9H5F3N2O3 |
Canonical SMILES: | C1=CC2=C(C(=C1)OC(F)(F)F)NC(=O)NC2=O |
InChI: | InChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-8(16)14-7(4)15/h1-3H,(H2,13,14,15,16) |
InChI Key: | FVQOONKLIQLJCV-UHFFFAOYSA-N |
Purity: | ≥ 97 % |
Density: | 1.522±0.06 g/cm3 (Predicted) |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.02522651 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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