Phoxim Impurity 2

CAT: 1596-AR-P31490-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31490-02Size:25 Units

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CAS Number

14816-35-4

Molecular Formula

C14H19N2O3PS

Molecular Weight

326.35

API Name

Phoxim

Chemical Information

Glyoxylonitrile, phenyl-, oxime, O,O-diisopropyl phosphorothioate

CAS Number	14816-35-4
PubChem CID	6507134
IUPAC Name	(E)-N-di(propan-2-yloxy)phosphinothioyloxybenzenecarboximidoyl cyanide
Molecular Formula	C14H19N2O3PS
Molecular Weight	326.35
XLogP	5.3
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	436

SMILES

CC(C)OP(=S)(OC(C)C)O/N=C(/C#N)\C1=CC=CC=C1

InChI

InChI=1S/C14H19N2O3PS/c1-11(2)17-20(21,18-12(3)4)19-16-14(10-15)13-8-6-5-7-9-13/h5-9,11-12H,1-4H3/b16-14-

InChIKey

NSXXBBVTFPIQMZ-PEZBUJJGSA-N

Chemical Structure

2D Structure

CAS: 14816-35-4

CID: 6507134

Formula: C14H19N2O3PS

MW: 326.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.35
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	326.08540064
Monoisotopic Mass	326.08540064
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	436
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P31495-01	Phoxim Impurity 5
AR-P31489-01	Phoxim Impurity 1
AR-P31494-01	Phoxim Impurity 4
AR-P31491-01	Phoxim Impurity 3
AR-P31496-01	Phoxim Impurity 6
AR-P01840-01	Phoxim
AR-P31492-01	(6E) -Phoxim
AR-P31493-01	(6Z) -Phoxim
AR-P01841-01	Phoxim-d5
AR-N01598-01	Nintedanib Impurity 2 (Intedanib Impurity 2)

Catalog	Name
CS-T-60552	Phoxim
HY-B0819R	Phoxim (Standard)
462549-01	Phoxim discontinued
SC-NC-059	Phoxim Rapid Test Kit
E-FS-C179-01	Phoxim Lateral Flow Assay Kit
HY-W758414	Phoxim-d5 (phenyl-d5) (mixture of isomers)
LCS-4689	1000 ug/mL Phoxim in HPLC Acetonitrile - 1ML
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
TRC-S676665-100MG	Solifenacin EP Impurity A Nitroso Impurity
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity