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8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester

8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester - CAS 206258-97-1

Name: 8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016110
Product Name:	8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester
CAS:	206258-97-1
Synonyms:	ethyl 8-bromo-4-chloroquinoline-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 8-bromo-4-chloroquinoline-3-carboxylate
Description:	8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester (CAS# 206258-97-1) is a useful research chemical.
Molecular Weight:	314.56
Molecular Formula:	C12H9BrClNO2
Canonical SMILES:	CCOC(=O)C1=CN=C2C(=C1Cl)C=CC=C2Br
InChI:	InChI=1S/C12H9BrClNO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3
InChI Key:	MLHAFVCMBUQWKC-UHFFFAOYSA-N
Boiling Point:	378.3 °C at 760 mmHg
Density:	1.578 g/cm³
Appearance:	Off-white to tan solid
MDL:	MFCD00173385
LogP:	3.82740

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Quinoline/Isoquinoline

[948291-36-9]C11H7Cl2NO
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[938459-19-9]C11H10ClNS
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]C13H12ClN
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]C11H9NO4
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[30740-95-5]C12H16ClNO4
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[13676-02-3]C10H8ClNO
2-Chloro-6-methoxyquinoline

Publication Number	Title	Priority Date
US-2020385398-A1	New bicyclic derivatives	20190607
WO-2020247747-A1	Bicyclic derivatives for treating endoparasites	20190607
WO-2019215182-A1	New quinoline derivatives	20180509
AU-2019266511-A1	New quinoline derivatives	20180509
CN-112074514-A	Novel quinoline derivatives	20180509

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	312.95052
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.95052
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7