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137710-65-7 | Heptanoic acid, 2,4,5-trichlorophenyl ester
CAS No: 137710-65-7 Catalog No: AG0013RE MDL No:
Product Description
Catalog Number:
AG0013RE
Chemical Name:
Heptanoic acid, 2,4,5-trichlorophenyl ester
CAS Number:
137710-65-7
Molecular Formula:
C13H15Cl3O2
Molecular Weight:
309.6160
IUPAC Name:
(2,4,5-trichlorophenyl) heptanoate
InChI:
InChI=1S/C13H15Cl3O2/c1-2-3-4-5-6-13(17)18-12-8-10(15)9(14)7-11(12)16/h7-8H,2-6H2,1H3
InChI Key:
JDAZILLYSCYDKF-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)Oc1cc(Cl)c(cc1Cl)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.611g/mol
Monoisotopic Mass:
308.014g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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