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113870-15-8 | Pentanoic acid, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester
CAS No: 113870-15-8 Catalog No: AG0009Z8 MDL No:
Product Description
Catalog Number:
AG0009Z8
Chemical Name:
Pentanoic acid, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester
CAS Number:
113870-15-8
Molecular Formula:
C9H16Cl3O5P
Molecular Weight:
341.5531
IUPAC Name:
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) pentanoate
InChI:
InChI=1S/C9H16Cl3O5P/c1-4-5-6-7(13)17-8(9(10,11)12)18(14,15-2)16-3/h8H,4-6H2,1-3H3
InChI Key:
USWPNXDWNDOOMP-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.546g/mol
Monoisotopic Mass:
339.98g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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