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121490-87-7 | Benzoic acid, 3,5-dichloro-4-[[(pentadecyloxy)carbonyl]oxy]-, ethyl ester
CAS No: 121490-87-7 Catalog No: AG00151G MDL No:
Product Description
Catalog Number:
AG00151G
Chemical Name:
Benzoic acid, 3,5-dichloro-4-[[(pentadecyloxy)carbonyl]oxy]-, ethyl ester
CAS Number:
121490-87-7
Molecular Formula:
C25H38Cl2O5
Molecular Weight:
489.4722
IUPAC Name:
ethyl 3,5-dichloro-4-pentadecoxycarbonyloxybenzoate
InChI:
InChI=1S/C25H38Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-31-25(29)32-23-21(26)18-20(19-22(23)27)24(28)30-4-2/h18-19H,3-17H2,1-2H3
InChI Key:
KCJVRRGEUMDXES-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCOC(=O)Oc1c(Cl)cc(cc1Cl)C(=O)OCC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.474g/mol
Monoisotopic Mass:
488.21g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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