200,000+ products from a single source!
sales@angenechem.com
115895-10-8 | Benzoic acid, 3,5-dichloro-4-[(1-oxohexadecyl)oxy]-, ethyl ester
CAS No: 115895-10-8 Catalog No: AG000H2B MDL No:
Product Description
Catalog Number:
AG000H2B
Chemical Name:
Benzoic acid, 3,5-dichloro-4-[(1-oxohexadecyl)oxy]-, ethyl ester
CAS Number:
115895-10-8
Molecular Formula:
C25H38Cl2O4
Molecular Weight:
473.4728
IUPAC Name:
ethyl 3,5-dichloro-4-hexadecanoyloxybenzoate
InChI:
InChI=1S/C25H38Cl2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)31-24-21(26)18-20(19-22(24)27)25(29)30-4-2/h18-19H,3-17H2,1-2H3
InChI Key:
FRGAAUCNUHUORA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)OCC
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.475g/mol
Monoisotopic Mass:
472.215g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.