Phoxim

CAT: 0926-FP148624-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FP148624-03Size:100 mg

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CAS Number

14816-18-3

MDL Number

MFCD05863734

Smiles

CCOP (=S) (OCC) O/N=C (\C#N) /C1=CC=CC=C1

Molecular Formula

C12H15N2O3PS

Molecular Weight

298.3 g/mol

Controlled

Chemical Information

Phoxim

Phoxim is a synthetic organophosphate acetylcholinesterase inhibitor that is used as a pesticide. It is characterized as a yellow liquid, and exposure occurs by inhalation, ingestion, or contact.

CAS Number	14816-18-3
PubChem CID	26927
IUPAC Name	N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
Molecular Formula	C12H15N2O3PS
Molecular Weight	298.30
XLogP	4.4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	389

SMILES

CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1

InChI

InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

InChIKey

ATROHALUCMTWTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14816-18-3

CID: 26927

Formula: C12H15N2O3PS

MW: 298.30

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	298.30
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	298.05410052
Monoisotopic Mass	298.05410052
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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DPA49522-01	Phox-I2
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70R-51240	P47 phox antibody
70R-51269	P22 phox antibody
70R-51241	P47 phox antibody
70R-49625	Gp91 phox antibody
70R-35351	P47 phox antibody
70R-36897	P47 phox antibody (Ser370)

Alternative Products

Catalog	Name
CS-T-60552	Phoxim
AR-P31492-01	(6E) -Phoxim
AR-P31493-01	(6Z) -Phoxim
AR-P01841-01	Phoxim-d5
HY-B0819R	Phoxim (Standard)
462549-01	Phoxim discontinued
AR-P31495-01	Phoxim Impurity 5
AR-P31489-01	Phoxim Impurity 1
AR-P31494-01	Phoxim Impurity 4
AR-P31490-01	Phoxim Impurity 2

Phoxim

Chemical Information

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