Free Chemical Databases
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[Synonyms]
Hexanema
Mobilawn
Nemacide
DICHLOFENTHION
Dichlofention
Dichlorofenthion
ECP (pesticide)
VC13 Nemacide
Nemacide VC-13
Tri-vc 13
[Structure]
[ Properties Computed from Structure]
Molecular Weight 315.153181 [g/mol] Molecular Formula C10H13Cl2O3PS XLogP 5.3 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 6 Exact Mass 313.970007 MonoIsotopic Mass 313.970007 Topological Polar Surface Area 27.7 Heavy Atom Count 17 Formal Charge 0 Complexity 270 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane
Canonical SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1/C10H13Cl2O3PS/c1-3-13-16(17,
14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
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