6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)quinazoline 3-Oxide - CAS 60656-74-8
Catalog: |
BB070122 |
Product Name: |
6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)quinazoline 3-Oxide |
CAS: |
60656-74-8 |
Synonyms: |
6-chloro-2-(chloromethyl)-4-(2-fluorophenyl)quinazoline 3-oxide; 6-chloro-2-(chloromethyl)-4-(2-fluorophenyl)-3-oxidoquinazolin-3-ium |
IUPAC Name: | 6-chloro-2-(chloromethyl)-4-(2-fluorophenyl)-3-oxidoquinazolin-3-ium |
Description: | 6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)quinazoline 3-Oxide is an intermediate in the synthesis of the synthetic precursor of Midazolam (M343000), an anesthetic, anticonvulsant, sedative and hypotic agent. |
Molecular Weight: | 323.15 |
Molecular Formula: | C15H9Cl2FN2O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CCl)[O-])F |
InChI: | InChI=1S/C15H9Cl2FN2O/c16-8-14-19-13-6-5-9(17)7-11(13)15(20(14)21)10-3-1-2-4-12(10)18/h1-7H,8H2 |
InChI Key: | HKJMWTDLQYSQDH-UHFFFAOYSA-N |
Solubility: | Acetone, Chloroform, DCM |
Appearance: | Light Yellow Solid |
References: | Laviana, L., et al. J. Pharma. Biomed. Anal., 32, 167 (2003). |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.0075965 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.0075965 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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