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91820-58-5 | Ethyl 5-(2,4-dichloro-phenoxy)pentanoate
CAS No: 91820-58-5 Catalog No: AG01FC5E MDL No:
Product Description
Catalog Number:
AG01FC5E
Chemical Name:
Ethyl 5-(2,4-dichloro-phenoxy)pentanoate
CAS Number:
91820-58-5
Molecular Formula:
C13H16Cl2O3
Molecular Weight:
291.1703
IUPAC Name:
ethyl 5-(2,4-dichlorophenoxy)pentanoate
InChI:
InChI=1S/C13H16Cl2O3/c1-2-17-13(16)5-3-4-8-18-12-7-6-10(14)9-11(12)15/h6-7,9H,2-5,8H2,1H3
InChI Key:
FBRFVASBLYJTOM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1ccc(cc1Cl)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.168g/mol
Monoisotopic Mass:
290.048g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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