CAS 321-54-0 | 3-Chloro-4-methyl-7-coumarinyl diethyl phosphate | CAS Number 321-54-0

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321-54-0 | 3-Chloro-4-methyl-7-coumarinyl diethyl phosphate

CAS No: 321-54-0 Catalog No: AG0039G4 MDL No:

Product Description

Catalog Number:

AG0039G4

Chemical Name:

3-Chloro-4-methyl-7-coumarinyl diethyl phosphate

CAS Number:

321-54-0

Molecular Formula:

C14H16ClO6P

Molecular Weight:

346.7000

IUPAC Name:

(3-chloro-4-methyl-2-oxochromen-7-yl) diethyl phosphate

InChI:

InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3

InChI Key:

FDYMERLIFOUIRZ-UHFFFAOYSA-N

SMILES:

CCOP(=O)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC

EC Number:

206-288-6

UNII:

FS49K9Q80B

Properties

Complexity:

496

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.7g/mol

Monoisotopic Mass:

346.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Acetylcholinesterase of Stomoxys calcitrans (L.) (Diptera: Muscidae): cDNA sequence, baculovirus expression, and biochemical properties.	Veterinary parasitology 20120227
Differential response to diazinon and coumaphos in a strain of Boophilus microplus (Acari: Ixodidae) collected in Mexico.	Journal of medical entomology 20080901
Cloning and expression of the phosphotriesterase gene hocA from Pseudomonas monteilii C11.	Microbiology (Reading, England) 20020901
Isolation of a Pseudomonas monteilli strain with a novel phosphotriesterase.	FEMS microbiology letters 20020102