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285138-81-0 | Phosphorothioic acid, O,O-di(ethyl-d5) O-(3,5,6-trichloro-2-pyridinyl) ester (9CI)
CAS No: 285138-81-0 Catalog No: AG002VKK MDL No:
Product Description
Catalog Number:
AG002VKK
Chemical Name:
Phosphorothioic acid, O,O-di(ethyl-d5) O-(3,5,6-trichloro-2-pyridinyl) ester (9CI)
CAS Number:
285138-81-0
Molecular Formula:
C9HCl3D10NO3PS
Molecular Weight:
360.6479
IUPAC Name:
bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane
InChI:
InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChI Key:
SBPBAQFWLVIOKP-MWUKXHIBSA-N
SMILES:
C([2H])(C(OP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
10
Molecular Weight:
360.636g/mol
Monoisotopic Mass:
358.989g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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