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Xiaochongliulin

CAT: 0572-TRC-X171605-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-X171605-50MGSize:50 mg
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CAS Number
171605-91-7
Synonyms
O-(2,4-Dichloro-6-nitrophenyl) O,O-diethyl Ester Phosphorothioic Acid; Phosphorothioic acid, O-(2,4-dichloro-6-nitrophenyl) O,O-diethyl ester
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCOP(=S)(OCC)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
Molecular Formula
C10H12Cl2NO5PS
Molecular Weight
360.15
InChI
InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-8(12)5-7(11)6-9(10)13(14)15/h5-6H,3-4H2,1-2H3
Additionnal Information
IUPAC name: (2,4-dichloro-6-nitrophenoxy)-diethoxy-sulfanylidene-λ^{5}-phosphane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

O-(2,4-Dichloro-6-nitrophenyl) O,O-diethyl phosphorothioate
CAS Number171605-91-7
PubChem CID86185014
IUPAC Name(2,4-dichloro-6-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC10H12Cl2NO5PS
Molecular Weight360.15
XLogP4.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H12Cl2NO5PS/c1-3-16-19(20,17-4-2)18-10-8(12)5-7(11)6-9(10)13(14)15/h5-6H,3-4H2,1-2H3
InChIKey
LVHRDEVAWFGKBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-(2,4-Dichloro-6-nitrophenyl) O,O-diethyl phosphorothioate
CAS: 171605-91-7
CID: 86185014
Formula: C10H12Cl2NO5PS
MW: 360.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.15
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass358.9550860
Monoisotopic Mass358.9550860
Topological Polar Surface Area106 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-X19834-01Xiaochongliulin

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