Home Halogens Methyl 2-(3,5-dichlorophenoxy)-4-methylpentanoate

Methyl 2-(3,5-dichlorophenoxy)-4-methylpentanoate

CAS No.:
2044706-76-3
Catalog Number:
AG01EN32
Molecular Formula:
C13H16Cl2O3
Molecular Weight:
291.1703
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Product Description
Catalog Number:
AG01EN32
Chemical Name:
Methyl 2-(3,5-dichlorophenoxy)-4-methylpentanoate
CAS Number:
2044706-76-3
Molecular Formula:
C13H16Cl2O3
Molecular Weight:
291.1703
MDL Number:
MFCD30502870
IUPAC Name:
methyl 2-(3,5-dichlorophenoxy)-4-methylpentanoate
InChI:
InChI=1S/C13H16Cl2O3/c1-8(2)4-12(13(16)17-3)18-11-6-9(14)5-10(15)7-11/h5-8,12H,4H2,1-3H3
InChI Key:
JXGKCJHNAOHKTQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1cc(Cl)cc(c1)Cl)CC(C)C
Properties
Complexity:
261  
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:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties