1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(2,6-dichlorophenoxy)propanoate

2.1.2 InChI

InChI=1S/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13/h4-7H,3H2,1-2H3

2.1.3 InChI Key

UKCDLIBIFNZMCQ-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

ANE39GN9RQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 344559-34-8

2. Ane39gn9rq

3. Schembl10779520

4. Ukcdlibifnzmcq-uhfffaoysa-n

5. F97810

6. (+)-2-(2,6-dichlorophenoxy)-propionic Acid Ethylester

7. (-)-2-(2,6-dichlorophenoxy)-propionic Acid Ethylester

8. Propanoic Acid, 2-(2,6-dichlorophenoxy)-, Ethyl Ester

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂Cl₂O₃
Molecular Weight	263.11 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	35.5
Heavy Atom Count	16
Formal Charge	0
Complexity	225
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

CAS 344559-34-8