6-Chloroquinazolin-2(1H)-one - CAS 60610-12-0
Catalog: |
BB044457 |
Product Name: |
6-Chloroquinazolin-2(1H)-one |
CAS: |
60610-12-0 |
Synonyms: |
2(1H)-Quinazolinone, 6-chloro-; 6-Chloro-2-hydroxyquinazoline; 6-Chloro-2(1h)-quinazolinone |
IUPAC Name: | 6-chloro-1H-quinazolin-2-one |
Description: | 6-Chloroquinazolin-2(1H)-one (CAS# 60610-12-0 ) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C=NC(=O)N2 |
InChI: | InChI=1S/C8H5ClN2O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-4H,(H,10,11,12) |
InChI Key: | MMIZUUJBTRUHNH-UHFFFAOYSA-N |
Melting Point: | >300 °C |
Purity: | 98 % |
Density: | 1.50±0.1 g/cm3 (Predicted) |
Complexity: | 229 |
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: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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