Home Halogens Oxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, ethyl ester

Oxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, ethyl ester

CAS No.:
82258-36-4
Catalog Number:
AG0055ZL
Molecular Formula:
C17H23ClO4
Molecular Weight:
326.8151
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Product Description
Catalog Number:
AG0055ZL
Chemical Name:
Oxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, ethyl ester
CAS Number:
82258-36-4
Molecular Formula:
C17H23ClO4
Molecular Weight:
326.8151
MDL Number:
MFCD00867408
IUPAC Name:
ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
InChI:
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
InChI Key:
DZLOHEOHWICNIL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCCCOc2ccc(cc2)Cl)OC1
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.128g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.817g/mol
Monoisotopic Mass:
326.128g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
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