4-Hydroxyquinazoline-8-carbonitrile - CAS 663194-04-5
Catalog: |
BB032988 |
Product Name: |
4-Hydroxyquinazoline-8-carbonitrile |
CAS: |
663194-04-5 |
Synonyms: |
4-oxo-3H-quinazoline-8-carbonitrile; 4-oxo-3H-quinazoline-8-carbonitrile |
IUPAC Name: | 4-oxo-3H-quinazoline-8-carbonitrile |
Description: | 4-Hydroxyquinazoline-8-carbonitrile (CAS# 663194-04-5) is a useful research chemical. |
Molecular Weight: | 171.16 |
Molecular Formula: | C9H5N3O |
Canonical SMILES: | C1=CC(=C2C(=C1)C(=O)NC=N2)C#N |
InChI: | InChI=1S/C9H5N3O/c10-4-6-2-1-3-7-8(6)11-5-12-9(7)13/h1-3,5H,(H,11,12,13) |
InChI Key: | BUQABABXGUUNKN-UHFFFAOYSA-N |
LogP: | 1.20708 |
Publication Number | Title | Priority Date |
JP-2015007029-A | Method for producing optically active isoxazoline compound | 20130527 |
US-2015259339-A1 | Azaquinazoline carboxamide derivatives | 20121129 |
US-9440968-B2 | Substituted pyrido[3,2-d]pyrimidines for treating cancer | 20121129 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.043261791 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.043261791 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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