Free Chemical Databases
-
[Synonyms]
OMS 1297
BRN 1889525
AI3-27453
LS-107111
O-(2,5-Dichloro-4-bromophenyl) O-propyl methylphosphonothioate
Phosphonothioic acid, methyl-, O-(4-bromo-2,5-dichlorophenyl) O-propyl ester
6173-20-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 378.049841 [g/mol] Molecular Formula C10H12BrCl2O2PS XLogP 6.5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 5 Exact Mass 375.885605 MonoIsotopic Mass 375.885605 Topological Polar Surface Area 18.5 Heavy Atom Count 17 Formal Charge 0 Complexity 296 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (4-bromo-2,5-dichlorophenoxy)-methyl-propoxy-sulfanylidenephosphorane
Canonical SMILES: CCCOP(=S)(C)OC1=CC(=C(C=C1Cl)Br)Cl
InChI: InChI=1/C10H12BrCl2O2PS/c1-3-4-14-16(2,
17)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
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