2- (3,4-Dichlorophenyl) -2-methylpropanoic acid

CAT: 0127-OR1037532-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1037532-01Size:250 mg

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CAS Number

80854-22-4

MDL Number

MFCD11036926

Purity

98%

Smiles

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

Chemical Information

2-(3,4-Dichlorophenyl)-2-methylpropanoic acid

CAS Number	80854-22-4
PubChem CID	15582645
IUPAC Name	2-(3,4-dichlorophenyl)-2-methylpropanoic 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	2
Heavy Atom Count	14
Formal Charge	0
Complexity	228

SMILES

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

InChI

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

InChIKey

HABYUGCUALNAMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80854-22-4

CID: 15582645

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	2
Exact Mass	232.0057849
Monoisotopic Mass	232.0057849
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BQA58453-01	3- (3,4-Dichlorophenyl) -2-methylpropanoic acid
UEA41179-01	3- (2,4-Dichlorophenyl) -2-methylpropanoic acid
FDA85422-01	2- (3,4-Dichlorophenyl) -2-methylpropanoic acid
AIB64382-01	2- (3,5-Dichlorophenyl) -2-methylpropanoic acid
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CCA42711-01	3- (4-Methoxyphenyl) -2-methylpropanoic acid
FIA50466-01	3- (4-Methoxybenzenesulfonyl) -2-methylpropanoic acid
KCA42391-01	3- (4-Cyanophenyl) -2-methylpropanoic acid
TQB30028-01	3- (4-Fluorobenzenesulfonyl) -2-methylpropanoic acid