2-Chloro-3,4-dihydroquinazolin-4-one - CAS 607-69-2
Catalog: |
BB030801 |
Product Name: |
2-Chloro-3,4-dihydroquinazolin-4-one |
CAS: |
607-69-2 |
Synonyms: |
2-chloro-3H-quinazolin-4-one; 2-chloro-3H-quinazolin-4-one |
IUPAC Name: | 2-chloro-3H-quinazolin-4-one |
Description: | 2-Chloro-3,4-dihydroquinazolin-4-one (CAS# 607-69-2) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=N2)Cl |
InChI: | InChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12) |
InChI Key: | CNGRGEDXKHIFIL-UHFFFAOYSA-N |
Boiling Point: | 325.9 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
LogP: | 1.98880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191236-A1 | Nucleotide analogues for the treatment of coronaviruses | 20200327 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021077102-A1 | Novel antiparasitic compounds and methods | 20191018 |
WO-2020252240-A1 | Compounds and compositions for treating conditions associated with sting activity | 20190614 |
CN-108553465-A | A kind of Ketoconazol/Clobetasol Propionate topical composition for fungal infection | 20180419 |
PMID | Publication Date | Title | Journal |
22719705 | 20120601 | 2-Chloro-quinazolin-4(3H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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