2-Chloro-6H-pyrimido[5,4-b][1,4]oxazin-7(8H)-one - CAS 943995-32-2
Catalog: |
BB069834 |
Product Name: |
2-Chloro-6H-pyrimido[5,4-b][1,4]oxazin-7(8H)-one |
CAS: |
943995-32-2 |
Synonyms: |
2-Chloro-6H-pyrimido[5,4-b][1,4]oxazin-7(8H)-one; 2-chloro-8H-pyrimido[5,4-b][1,4]oxazin-7-one |
IUPAC Name: | 2-chloro-8H-pyrimido[5,4-b][1,4]oxazin-7-one |
Description: | 2-Chloro-6H-pyrimido[5,4-b][1,4]oxazin-7(8H)-one is a general reagent in pharmaceutical syntheses. |
Molecular Weight: | 185.57 |
Molecular Formula: | C6H4ClN3O2 |
Canonical SMILES: | C1C(=O)NC2=NC(=NC=C2O1)Cl |
InChI: | InChI=1S/C6H4ClN3O2/c7-6-8-1-3-5(10-6)9-4(11)2-12-3/h1H,2H2,(H,8,9,10,11) |
InChI Key: | BJFLSQFORMFAAP-UHFFFAOYSA-N |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9992041 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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