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42609-41-6 | Ethyl 4-(2,4-dichloro-phenoxy)butanoate
CAS No: 42609-41-6 Catalog No: AG01FCGX MDL No:
Product Description
Catalog Number:
AG01FCGX
Chemical Name:
Ethyl 4-(2,4-dichloro-phenoxy)butanoate
CAS Number:
42609-41-6
Molecular Formula:
C12H14Cl2O3
Molecular Weight:
277.1438
IUPAC Name:
ethyl 4-(2,4-dichlorophenoxy)butanoate
InChI:
InChI=1S/C12H14Cl2O3/c1-2-16-12(15)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3
InChI Key:
BJGKRICBCYVRDX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1Cl)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.141g/mol
Monoisotopic Mass:
276.032g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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