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(S)-2-(4-Chlorophenyl)-3-methylbutanoic Acid

(S)-2-(4-Chlorophenyl)-3-methylbutanoic Acid - CAS 55332-38-2

Catalog:	BB029003
Product Name:	(S)-2-(4-Chlorophenyl)-3-methylbutanoic Acid
CAS:	55332-38-2
Synonyms:	(2S)-2-(4-chlorophenyl)-3-methylbutanoic acid; (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	(2S)-2-(4-chlorophenyl)-3-methylbutanoic acid
Description:	(S)-2-(4-Chlorophenyl)-3-methylbutanoic Acid (CAS# 55332-38-2) is a useful research chemical.
Molecular Weight:	212.67
Molecular Formula:	C11H13ClO2
Canonical SMILES:	CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O
InChI:	InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1
InChI Key:	VTJMSIIXXKNIDJ-JTQLQIEISA-N
Boiling Point:	318.7 °C at 760 mmHg
Density:	1.184 g/cm³
LogP:	3.16420

Publication Number	Title	Priority Date
WO-2021041278-A2	Compositions and methods relating to insecticides	20190823
WO-2021022059-A1	Synergistic mixtures for arthropod toxicity and repellency	20190730
WO-2020251964-A1	Compositions targeting sperm calcineurin	20190610
WO-2020239954-A1	Arthropod control compositions	20190531
WO-2020239980-A1	Arthropod controlling composition	20190531

PMID	Publication Date	Title	Journal
22311421	20120501	Interspecific competition delays recovery of Daphnia spp. populations from pesticide stress	Ecotoxicology (London, England)

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0604073
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.0604073
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4