2- (2-Chlorophenoxy) -2-methylpropanoic acid

CAT: 0127-OR1064292-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1064292-01Size:250 mg

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CAS Number

17413-79-5

MDL Number

MFCD00056708

Purity

95%

Smiles

CC(C)(OC1=CC=CC=C1Cl)C(O)=O

Chemical Information

2-(2-Chlorophenoxy)-2-methylpropanoic acid

CAS Number	17413-79-5
PubChem CID	205111
IUPAC Name	2-(2-chlorophenoxy)-2-methylpropanoic acid
Molecular Formula	C10H11ClO3
Molecular Weight	214.64
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	215

SMILES

CC(C)(C(=O)O)OC1=CC=CC=C1Cl

InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6H,1-2H3,(H,12,13)

InChIKey

ZEQSWIRBIUYYFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17413-79-5

CID: 205111

Formula: C10H11ClO3

MW: 214.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.64
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.0396719
Monoisotopic Mass	214.0396719
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215
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

Catalog	Name
OR28848-01	2- (4-Chlorophenoxy) -2-methylpropanoic acid
OR952689-01	2-Methoxy-2-methylpropanoic acid
OR1031919	2- (Dimethylamino) -2-methylpropanoic acid
OR1103246-01	2-Cyclopropyl-2-methylpropanoic acid
OR73332-01	2- (Benzoyloxy) -2-methylpropanoic acid
OR77994-01	2- (Benzylthio) -2-methylpropanoic acid
OR78237-01	2- (Benzyloxy) -2-methylpropanoic acid
OR93618	2-Acetoxy-2-methylpropanoic acid
OR1007087	2-Cyclobutyl-2-methylpropanoic acid
OR1036423-01	2-Cyclohexyl-2-methylpropanoic acid

Catalog	Name
FC112765-01	2- (2-Chlorophenoxy) -2-methylpropanoic acid
sc-282560	2- (3-chlorophenoxy) -2-methylpropanoic acid
sc-282617	2- (4-bromo-2-chlorophenoxy) -2-methylpropanoic acid
QMC30752-01	2- (Cyclopropanesulfonyl) -2-methylpropanoic acid
RG-A131429-01	2-Amino-2-Methylpropanoic Acid
JH214703	2-Cyano-2-methylpropanoic acid
sc-282733	2- (dimethylamino) -2-methylpropanoic acid
AR-P32849-01	2- (Acetyloxy) -2-Methylpropanoic Acid
RAA38697-01	2-Cyclohexyl-2-methylpropanoic acid
WCA19913-01	2-Cyclopropyl-2-methylpropanoic acid