7-Fluoroquinazoline-2,4(1H,3H)-dione - CAS 76088-98-7
Catalog: |
BB035493 |
Product Name: |
7-Fluoroquinazoline-2,4(1H,3H)-dione |
CAS: |
76088-98-7 |
Synonyms: |
7-fluoro-1H-quinazoline-2,4-dione; 7-fluoro-1H-quinazoline-2,4-dione |
IUPAC Name: | 7-fluoro-1H-quinazoline-2,4-dione |
Description: | 7-Fluoroquinazoline-2,4(1H,3H)-dione (CAS# 76088-98-7) is a useful research chemical. |
Molecular Weight: | 180.14 |
Molecular Formula: | C8H5FN2O2 |
Canonical SMILES: | C1=CC2=C(C=C1F)NC(=O)NC2=O |
InChI: | InChI=1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13) |
InChI Key: | TVXRSUFHSHBLOM-UHFFFAOYSA-N |
Boiling Point: | 246.1 °C at 760 mmHg |
Density: | 1.434 g/cm3 |
LogP: | 0.35550 |
Publication Number | Title | Priority Date |
JP-2017514918-A | Pharmacologically active quinazolinedione derivatives | 20140509 |
AU-2014269229-A1 | Bicyclic derivative containing pyrimidine ring, and preparation method therefor | 20130524 |
AU-2014269229-B2 | Bicyclic derivative containing pyrimidine ring, and preparation method therefor | 20130524 |
EP-3006439-A1 | Bicyclic derivative containing pyrimidine ring, and preparation method therefor | 20130524 |
JP-2016520098-A | Bicyclic derivative containing pyrimidine ring and method for producing the same | 20130524 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03350557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03350557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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