2- (2,6-Dichlorophenyl) butanoic acid

CAT: 0127-OR1051062-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051062-01Size:100 mg

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CAS Number

359828-69-6

MDL Number

MFCD23098640

Purity

95%

Smiles

O=C(O)C(CC)C1=C(Cl)C=CC=C1Cl

Chemical Information

2-(2,6-dichlorophenyl)butanoic Acid

CAS Number	359828-69-6
PubChem CID	11009851
IUPAC Name	2-(2,6-dichlorophenyl)butanoic acid
Molecular Formula	C10H10Cl2O2
Molecular Weight	233.09
XLogP	3.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

CCC(C1=C(C=CC=C1Cl)Cl)C(=O)O

InChI

InChI=1S/C10H10Cl2O2/c1-2-6(10(13)14)9-7(11)4-3-5-8(9)12/h3-6H,2H2,1H3,(H,13,14)

InChIKey

WFHGNNOTEUNRRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 359828-69-6

CID: 11009851

Formula: C10H10Cl2O2

MW: 233.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.09
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	232.0057849
Monoisotopic Mass	232.0057849
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1076399	2- (2,6-dichlorophenyl) succinic acid
OR1096643-01	2- (2,6-dichlorophenyl) -2-oxoacetic acid
OR1053659-01	(S) -2-Amino-4- (3,5-dichlorophenyl) butanoic acid
OR1021335-01	3- (2,6-Dichlorophenyl) propionic acid
OR1069481-01	(R) -3-Amino-4- (2,4-dichlorophenyl) butanoic acid hydrochloride
OR17931	2- (2,6-Dichlorophenyl) cyclopropane-1-carboxylic acid
OR12511	2-Chloro-6- (2,4-dichlorophenyl) nicotinic acid
OR86542	2- (Cyclopentylmethyl) butanoic acid
OR1042935-01	2- (2-Chlorophenoxy) butanoic acid
OR1055283-01	2- (Phenylamino) butanoic acid

Catalog	Name
FJB15260-01	4- (2,5-Dichlorophenyl) butanoic acid
sc-352103	2-{[ (2,6-dichlorophenyl) sulfonyl]amino}-4- (methylthio) butanoic acid
sc-347894A	4- (3,4-dichlorophenyl) butanoic acid
QCA05477-01	2-[ (2,4-Dichlorophenyl) formamido]-4- (methylsulfanyl) butanoic acid
sc-352098	2-{[ (2,5-dichlorophenyl) sulfonyl]amino}-4- (methylthio) butanoic acid
ZKB35035-01	4- (2,6-Difluorophenyl) butanoic acid
UEA41170	4- (2,6-Dichlorophenoxy) butanoic acid
sc-352123	2-{[ (3,4-dichlorophenyl) sulfonyl]amino}-4- (methylthio) butanoic acid
AX KI 0023-01	2- (3,4-dichlorophenyl) -4-[ (2-methylpropan-2-yl) oxycarbonylamino]butanoic acid
QDA94298-01	4- (6-Oxopiperidin-2-yl) butanoic acid