Name: Name:Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester
Brand: Angene
SKU: AG002OV9
Rating: 90 (10 reviews)

Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester

CAS No.:

2463-84-5

Catalog Number:

AG002OV9

Molecular Formula:

C8H9ClNO5PS

Molecular Weight:

297.6525

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Product Description

Catalog Number:

AG002OV9

Chemical Name:

Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester

CAS Number:

2463-84-5

Molecular Formula:

C8H9ClNO5PS

Molecular Weight:

297.6525

MDL Number:

MFCD00128035

IUPAC Name:

(2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

InChI:

InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3

InChI Key:

OTKXWJHPGBRXCR-UHFFFAOYSA-N

SMILES:

COP(=S)(Oc1ccc(cc1Cl)[N+](=O)[O-])OC

UNII:

6RQZ0Q90M7

Properties

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.646g/mol

Monoisotopic Mass:

296.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Purification and partial characterization of an acid phosphatase from Spirodela oligorrhiza and its affinity for selected organophosphate pesticides.	Journal of agricultural and food chemistry 20050112
Interaction of structurally diverse pesticides with the human MDR1 gene product P-glycoprotein.	Toxicology and applied pharmacology 19961101

Properties