6-Chloro-2-methoxyquinoxaline - CAS 104152-39-8

Technical Data

IUPAC Name:	6-chloro-2-methoxyquinoxaline
Description:	6-Chloro-2-methoxyquinoxaline is used in the preparation of 2-aryl or heteroaryl indole derivatives and therapeutic use as ASIC channel modulators for treating pain, bone diseases, and other disorders.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	COC1=CN=C2C=C(C=CC2=N1)Cl
InChI:	InChI=1S/C9H7ClN2O/c1-13-9-5-11-8-4-6(10)2-3-7(8)12-9/h2-5H,1H3
InChI Key:	DSZWPJSGTPEFJI-UHFFFAOYSA-N
Melting Point:	82 - 86°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow to Light Yellow Solid
Storage:	-20°C
References:	Chang, R. K., et al.: PCT Int. Appl. (2009), WO 2009042092 A1 20090402.

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	35Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9