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101365-44-0 | Benzoic acid, 2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]-, methyl ester
CAS No: 101365-44-0 Catalog No: AG0004AJ MDL No:
Product Description
Catalog Number:
AG0004AJ
Chemical Name:
Benzoic acid, 2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]-, methyl ester
CAS Number:
101365-44-0
Molecular Formula:
C13H20NO4PS
Molecular Weight:
317.3410
IUPAC Name:
methyl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
InChI:
InChI=1S/C13H20NO4PS/c1-5-17-19(20,14-10(2)3)18-12-9-7-6-8-11(12)13(15)16-4/h6-10H,5H2,1-4H3,(H,14,20)
InChI Key:
FPEVHSIBUPWADM-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1ccccc1C(=O)OC)NC(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.34g/mol
Monoisotopic Mass:
317.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Isolation of an isocarbophos-degrading strain of Arthrobacter sp. scl-2 and identification of the degradation pathway. | Journal of microbiology and biotechnology 20091101 |
| Determination of selected non-authorized insecticides in peppers by liquid chromatography time-of-flight mass spectrometry and tandem mass spectrometry. | Rapid communications in mass spectrometry : RCM 20080501 |
| Determination of nine organophosphorus pesticides in cereals and kidney beans by capillary gas chromatography with flame photometric detection. | Journal of chromatographic science 20050801 |
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