6-Acetoxy-3-bromoquinoline - CAS 1022151-47-8

Catalog:	BB000813
Product Name:	6-Acetoxy-3-bromoquinoline
CAS:	1022151-47-8
Synonyms:	acetic acid (3-bromo-6-quinolinyl) ester; (3-bromoquinolin-6-yl) acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-bromoquinolin-6-yl) acetate
Description:	6-Acetoxy-3-bromoquinoline (CAS# 1022151-47-8) is a useful research chemical.
Molecular Weight:	266.09
Molecular Formula:	C11H8BrNO2
Canonical SMILES:	CC(=O)OC1=CC2=CC(=CN=C2C=C1)Br
InChI:	InChI=1S/C11H8BrNO2/c1-7(14)15-10-2-3-11-8(5-10)4-9(12)6-13-11/h2-6H,1H3
InChI Key:	ZXPMRDCMTBPCLA-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	2.92260

Publication Number	Title	Priority Date
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
WO-2021074279-A1	Spiro-fused tricyclic map4k1 inhibitors	20191016
US-2020188370-A1	Alk5 inhibitors	20181211
WO-2020123453-A2	Alk5 inhibitors	20181211

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.97384
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6