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2630-13-9 | Acetic acid, 2-(2,4,5-trichlorophenoxy)-, hexyl ester
CAS No: 2630-13-9 Catalog No: AG002SMX MDL No:
Product Description
Catalog Number:
AG002SMX
Chemical Name:
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, hexyl ester
CAS Number:
2630-13-9
Molecular Formula:
C14H17Cl3O3
Molecular Weight:
339.6420
IUPAC Name:
hexyl 2-(2,4,5-trichlorophenoxy)acetate
InChI:
InChI=1S/C14H17Cl3O3/c1-2-3-4-5-6-19-14(18)9-20-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3
InChI Key:
CBFJCDXICHREJI-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl
EC Number:
220-108-3
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.637g/mol
Monoisotopic Mass:
338.024g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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