Ethyl 2-methyl-4-chlorophenoxyacetate

CAT: 0127-OR1099531-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1099531-01Size:250 mg

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CAS Number

2698-38-6

MDL Number

MFCD00045193

Purity

95%

Smiles

O (CC (=O) OCC) c1c (C) cc (Cl) cc1

Chemical Information

4-Chloro-2-methylphenoxyacetic acid ethyl ester

CAS Number	2698-38-6
PubChem CID	17603
IUPAC Name	ethyl 2-(4-chloro-2-methylphenoxy)acetate
Molecular Formula	C11H13ClO3
Molecular Weight	228.67
XLogP	4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	208

SMILES

CCOC(=O)COC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3

InChIKey

OUYDEKFRLSFDMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2698-38-6

CID: 17603

Formula: C11H13ClO3

MW: 228.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.67
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	228.0553220
Monoisotopic Mass	228.0553220
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	208
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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