6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)-1,2-dihydroquinazoline 3-Oxide - CAS 60656-72-6

Catalog:	BB055547
Product Name:	6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)-1,2-dihydroquinazoline 3-Oxide
CAS:	60656-72-6
Synonyms:	2-Chloromethyl-4-(2-fluorophenyl)-6-chloro-1,2-dihydroquinazoline 3-Oxide

Technical Data

IUPAC Name:	6-chloro-2-(chloromethyl)-4-(2-fluorophenyl)-3-hydroxy-2H-quinazoline
Description:	6-Chloro-2-(chloromethyl)-4-(2-fluorophenyl)-1,2-dihydroquinazoline 3-Oxide is an intermediate in the synthesis of the synthetic precursor of Midazolam (M343000), an anesthetic, anticonvulsant, sedative and hypotic agent.
Molecular Weight:	325.17
Molecular Formula:	C15H11Cl2FN2O
Canonical SMILES:	C1=CC=C(C(=C1)C2=C3C=C(C=CC3=NC(N2O)CCl)Cl)F
InChI:	InChI=1S/C15H11Cl2FN2O/c16-8-14-19-13-6-5-9(17)7-11(13)15(20(14)21)10-3-1-2-4-12(10)18/h1-7,14,21H,8H2
InChI Key:	WXTLDTBBFIQWKV-UHFFFAOYSA-N
Solubility:	Chloroform, DCM, Acetone
Appearance:	Yellow Solid
References:	Laviana, L., et al. J. Pharma. Biomed. Anal., 32, 167 (2003).

Complexity:	556
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	324.0232465
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	324.0232465
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.8Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4