N-(6-Bromo-4-hydroxyquinazolin-2-yl)guanidine - CAS 74189-10-9
Catalog: |
BB058857 |
Product Name: |
N-(6-Bromo-4-hydroxyquinazolin-2-yl)guanidine |
CAS: |
74189-10-9 |
Synonyms: |
N-(6-Bromo-3,4-dihydro-4-oxo-2-quinazolinyl)guanidine; 2-(6-Bromo-4-oxo-1H-quinazolin-2-yl)guanidine |
IUPAC Name: | 2-(6-bromo-4-oxo-3H-quinazolin-2-yl)guanidine |
Description: | N-(6-Bromo-4-hydroxyquinazolin-2-yl)guanidine is a useful reagent in the preparation of 6, 8- disubstituted 2- guanidino- 4(3H) - quinazolinones which are potential antifungal agents. |
Molecular Weight: | 282.11 |
Molecular Formula: | C9H8BrN5O |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=O)NC(=N2)N=C(N)N |
InChI: | InChI=1S/C9H8BrN5O/c10-4-1-2-6-5(3-4)7(16)14-9(13-6)15-8(11)12/h1-3H,(H5,11,12,13,14,15,16) |
InChI Key: | UCKZCSWWTVQVFN-UHFFFAOYSA-N |
References: | Chaurasia, M. R., et al. Agric. Biol. Chem., 44, 663 (1990). |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.99122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.99122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 106Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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