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120-39-8 | Acetic acid, 2-(2,4,5-trichlorophenoxy)-, pentyl ester
CAS No: 120-39-8 Catalog No: AG000Q10 MDL No:
Product Description
Catalog Number:
AG000Q10
Chemical Name:
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, pentyl ester
CAS Number:
120-39-8
Molecular Formula:
C13H15Cl3O3
Molecular Weight:
325.6154
IUPAC Name:
pentyl 2-(2,4,5-trichlorophenoxy)acetate
InChI:
InChI=1S/C13H15Cl3O3/c1-2-3-4-5-18-13(17)8-19-12-7-10(15)9(14)6-11(12)16/h6-7H,2-5,8H2,1H3
InChI Key:
BNANYJKQNHOIPC-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl
EC Number:
204-392-6
UNII:
943S42HO0J
NSC Number:
122031
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.009g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.61g/mol
Monoisotopic Mass:
324.009g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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