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26253-52-1 | Dodecanoic acid, 2,4,6-trichlorophenyl ester
CAS No: 26253-52-1 Catalog No: AG002SGM MDL No:
Product Description
Catalog Number:
AG002SGM
Chemical Name:
Dodecanoic acid, 2,4,6-trichlorophenyl ester
CAS Number:
26253-52-1
Molecular Formula:
C18H25Cl3O2
Molecular Weight:
379.7489
IUPAC Name:
(2,4,6-trichlorophenyl) dodecanoate
InChI:
InChI=1S/C18H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-17(22)23-18-15(20)12-14(19)13-16(18)21/h12-13H,2-11H2,1H3
InChI Key:
KHCOZGXKVONPAB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1c(Cl)cc(cc1Cl)Cl
EC Number:
247-547-3
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.746g/mol
Monoisotopic Mass:
378.092g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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