2-Chloro-8-methoxy-dibenz[b,f][1,4]oxazepin-11(10H)-one - CAS 1797131-66-8

Catalog:	BB070058
Product Name:	2-Chloro-8-methoxy-dibenz[b,f][1,4]oxazepin-11(10H)-one
CAS:	1797131-66-8
Synonyms:	8-Chloro-3-methoxy-5H-benzo[b][1,4]benzoxazepin-6-one; 2-Chloro-8-methoxy-dibenz[b,f][1,4]oxazepin-11(10H)-one; 2-Chloro-8-methoxydibenzo[b,f][1,4]oxazepin-11(10H)-one

Technical Data

IUPAC Name:	8-chloro-3-methoxy-5H-benzo[b][1,4]benzoxazepin-6-one
Description:	Used in the preparation of Amoxapine (A634230) metabolites and derivatives.
Molecular Weight:	275.69
Molecular Formula:	C14H10ClNO3
Canonical SMILES:	COC1=CC2=C(C=C1)OC3=C(C=C(C=C3)Cl)C(=O)N2
InChI:	InChI=1S/C14H10ClNO3/c1-18-9-3-5-13-11(7-9)16-14(17)10-6-8(15)2-4-12(10)19-13/h2-7H,1H3,(H,16,17)
InChI Key:	BVFXAMGBKDTXTL-UHFFFAOYSA-N
Melting Point:	>196°C (dec.)
Solubility:	Dichloromethane (Slightly, Heated. Sonicated), DMSO (Slightly), Methanol (Slight
Appearance:	Pale Red to Light Brown Solid
Storage:	-20°C

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.0349209
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.0349209
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3