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4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid

4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid - CAS 898050-16-3

Catalog:	BB049090
Product Name:	4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CAS:	898050-16-3
Synonyms:	4-(4-bromo-3,5-dimethylpyrazolyl)butanoic acid; 1H-Pyrazole-1-butanoic acid, 4-bromo-3,5-dimethyl-

Technical Data

Computed Properties

IUPAC Name:	4-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoic acid
Description:	4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid (CAS# 898050-16-3 ) is a useful research chemical.
Molecular Weight:	261.12
Molecular Formula:	C9H13BrN2O2
Canonical SMILES:	CC1=C(C(=NN1CCCC(=O)O)C)Br
InChI:	InChI=1S/C9H13BrN2O2/c1-6-9(10)7(2)12(11-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
InChI Key:	BRJAPAKCHZOZJA-UHFFFAOYSA-N
Boiling Point:	399.5±42.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Pyrazoles

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.01604
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.01604
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5