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115895-09-5 | Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester
CAS No: 115895-09-5 Catalog No: AG000H2C MDL No:
Product Description
Catalog Number:
AG000H2C
Chemical Name:
Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester
CAS Number:
115895-09-5
Molecular Formula:
C26H40Cl2O5
Molecular Weight:
503.4988
IUPAC Name:
ethyl 3,5-dichloro-4-hexadecoxycarbonyloxybenzoate
InChI:
InChI=1S/C26H40Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(30)33-24-22(27)19-21(20-23(24)28)25(29)31-4-2/h19-20H,3-18H2,1-2H3
InChI Key:
DFMGMJBWBQNZNK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)OCC
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.225g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.501g/mol
Monoisotopic Mass:
502.225g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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