4-Bromo-8-methoxy-2-methylquinoline - CAS 927800-62-2

Catalog:	BB040621
Product Name:	4-Bromo-8-methoxy-2-methylquinoline
CAS:	927800-62-2
Synonyms:	4-bromo-8-methoxy-2-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-8-methoxy-2-methylquinoline
Description:	4-Bromo-8-methoxy-2-methylquinoline (CAS# 927800-62-2) is a useful research chemical.
Molecular Weight:	252.11
Molecular Formula:	C11H10BrNO
Canonical SMILES:	CC1=NC2=C(C=CC=C2OC)C(=C1)Br
InChI:	InChI=1S/C11H10BrNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChI Key:	WFHDYUWDRVMASE-UHFFFAOYSA-N
Boiling Point:	341.3 °C at 760 mmHg
Density:	1.455 g/cm³
LogP:	3.31430

Publication Number	Title	Priority Date
CA-2957828-A1	Substituted quinoline-4-carboxamides and use thereof	20140814
EP-3180006-A1	Substituted quinoline-4-carboxamides and use thereof	20140814
JP-2017529330-A	Substituted quinoline-4-carboxamide and uses thereof	20140814
US-2017233345-A1	Substituted quinoline-4-carboxamides and use thereof	20140814
WO-2016023885-A1	Substituted quinoline-4-carboxamides and use thereof	20140814

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.99458
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.99458
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3