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116161-57-0 | Butanoic acid, 2-(2,4-dichlorophenoxy)-, 2-hydroxyethyl ester
CAS No: 116161-57-0 Catalog No: AG000BSL MDL No:
Product Description
Catalog Number:
AG000BSL
Chemical Name:
Butanoic acid, 2-(2,4-dichlorophenoxy)-, 2-hydroxyethyl ester
CAS Number:
116161-57-0
Molecular Formula:
C12H14Cl2O4
Molecular Weight:
293.1432
IUPAC Name:
2-hydroxyethyl 2-(2,4-dichlorophenoxy)butanoate
InChI:
InChI=1S/C12H14Cl2O4/c1-2-10(12(16)17-6-5-15)18-11-4-3-8(13)7-9(11)14/h3-4,7,10,15H,2,5-6H2,1H3
InChI Key:
QLZWYYMCBXMZIN-UHFFFAOYSA-N
SMILES:
OCCOC(=O)C(Oc1ccc(cc1Cl)Cl)CC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.14g/mol
Monoisotopic Mass:
292.027g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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