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23197-61-7 | Acetic acid, 2-(2,4,5-trichlorophenoxy)-, 3-methylbutyl ester
CAS No: 23197-61-7 Catalog No: AG002MHZ MDL No:
Product Description
Catalog Number:
AG002MHZ
Chemical Name:
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, 3-methylbutyl ester
CAS Number:
23197-61-7
Molecular Formula:
C13H15Cl3O3
Molecular Weight:
325.6154
IUPAC Name:
3-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
InChI:
InChI=1S/C13H15Cl3O3/c1-8(2)3-4-18-13(17)7-19-12-6-10(15)9(14)5-11(12)16/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
NFRJTLQGBCZKIU-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)COc1cc(Cl)c(cc1Cl)Cl)C
EC Number:
245-483-0
Properties
Complexity:
286
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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