Methyl 2- (3-chlorophenoxy) -2-methylpropanoate

CAT: 0127-OR1098531-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098531-01Size:250 mg

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CAS Number

76410-70-3

Purity

97%

Smiles

O (C (C (=O) OC) (C) C) c1cc (Cl) ccc1

Chemical Information

Methyl 2-(3-chlorophenoxy)-2-methylpropanoate

CAS Number	76410-70-3
PubChem CID	12596426
IUPAC Name	methyl 2-(3-chlorophenoxy)-2-methylpropanoate
Molecular Formula	C11H13ClO3
Molecular Weight	228.67
XLogP	3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	228

SMILES

CC(C)(C(=O)OC)OC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H13ClO3/c1-11(2,10(13)14-3)15-9-6-4-5-8(12)7-9/h4-7H,1-3H3

InChIKey

GXEMRGFWGCTWTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76410-70-3

CID: 12596426

Formula: C11H13ClO3

MW: 228.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.67
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	228.0553220
Monoisotopic Mass	228.0553220
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
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

Catalog	Name
OR26848-01	Methyl 2- (4-chlorophenoxy) -2-methylpropanoate
OR26851	Isopropyl 2- (4-chlorophenoxy) -2-methylpropanoate
OR26850-01	Ethyl 2- (4-chlorophenoxy) -2-methylpropanoate
OR1052461-01	Methyl 3-bromo-2-methylpropanoate
OR27620	Methyl 3- (benzylamino) -2-methylpropanoate
OR1044875-01	Methyl 3- (dimethylamino) -2-methylpropanoate
OR1041584-01	Methyl 3-hydroxy-2-methylpropanoate
OR1071168-01	Methyl 3-chloro-2-methylpropanoate
PC111027-01	Methyl 2- (3-fluorophenyl) -2-methylpropanoate
OR1054820-01	Methyl 2- (3-methoxyphenyl) -2-methylpropanoate

Catalog	Name
JCA96524-01	Methyl 3- (benzyloxy) -2-methylpropanoate
EWB15289-01	Methyl 3- (cyclopropylamino) -2-methylpropanoate
GTR19254804-01	Methyl 3-hydroxy-2-methylpropanoate
EAA01062-01	Methyl 3- (benzylamino) -2-methylpropanoate
DAA44033-01	Methyl 3- (ethylamino) -2-methylpropanoate
NDA51206-01	Methyl 3-amino-2-methylpropanoate hydrochloride
UFA87188-01	Methyl 3- (4-aminophenyl) -2-methylpropanoate
ECA05105-01	Methyl 3-chloro-2-hydroxy-2-methylpropanoate
EWB92120-01	Methyl 3-[ (3-ethoxypropyl) amino]-2-methylpropanoate
HDA27054-01	Methyl 3-bromo-2-methoxy-2-methylpropanoate