8-Bromo-3-methoxyisoquinoline - CAS 608515-50-0

Catalog:	BB030838
Product Name:	8-Bromo-3-methoxyisoquinoline
CAS:	608515-50-0
Synonyms:	8-bromo-3-methoxyisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-3-methoxyisoquinoline
Description:	8-Bromo-3-methoxyisoquinoline (CAS# 608515-50-0 ) is a useful research chemical.
Molecular Weight:	238.08
Molecular Formula:	C10H8BrNO
Canonical SMILES:	COC1=NC=C2C(=C1)C=CC=C2Br
InChI:	InChI=1S/C10H8BrNO/c1-13-10-5-7-3-2-4-9(11)8(7)6-12-10/h2-6H,1H3
InChI Key:	PKOWJHRDTZPIHB-UHFFFAOYSA-N
MDL:	MFCD16652269
LogP:	3.00590

Publication Number	Title	Priority Date
AU-2003214442-A1	Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain	20020322
CA-2479150-A1	Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain	20020322
EP-1490340-A1	Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain	20020322
JP-2005526798-A	Heteroaromatic urea derivatives as VR-1 receptor modulators for the treatment of pain	20020322
US-2005107388-A1	Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain	20020322

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.97893
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1