2-chloro-8-quinazolinol - CAS 953039-10-6
Catalog: |
BB044447 |
Product Name: |
2-chloro-8-quinazolinol |
CAS: |
953039-10-6 |
Synonyms: |
2-Chloro-quinazolin-8-ol; 8-Quinazolinol, 2-chloro-; 2-Chloro-8-hydroxyquinazoline |
IUPAC Name: | 2-chloroquinazolin-8-ol |
Description: | 2-chloro-8-quinazolinol (CAS# 953039-10-6 ) is a useful research chemical. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CC2=CN=C(N=C2C(=C1)O)Cl |
InChI: | InChI=1S/C8H5ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h1-4,12H |
InChI Key: | NFLGXMBUPVURGA-UHFFFAOYSA-N |
Boiling Point: | 325.3±24.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.500±0.06 g/cm3 (Predicted) |
Complexity: | 167 |
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: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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