Pyoxim

CAT: 0127-PC904860-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC904860-02Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

153433-21-7

MDL Number

MFCD18643381

Purity

98%

Smiles

CCOC(=O)\C(=N\O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)\C#N.F[P-](F)(F)(F)(F)F

Chemical Information

PyOxim

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CAS Number	153433-21-7
PubChem CID	46910530
IUPAC Name	[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate
Molecular Formula	C17H29F6N5O3P2
Molecular Weight	527.4
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	594

SMILES

CCOC(=O)/C(=N/O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)/C#N.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C17H29N5O3P.F6P/c1-2-24-17(23)16(15-18)19-25-26(20-9-3-4-10-20,21-11-5-6-12-21)22-13-7-8-14-22;1-7(2,3,4,5)6/h2-14H2,1H3;/q+1;-1/b19-16+;

InChIKey

RDWDVLFMPFUBDV-PXMDEAMVSA-N

Chemical Structure

2D Structure

CAS: 153433-21-7

CID: 46910530

Formula: C17H29F6N5O3P2

MW: 527.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	527.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	527.16498277
Monoisotopic Mass	527.16498277
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	594
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	2
Compound Is Canonicalized	Yes

Catalog	Name
PC110645-01	(S) -4-CF3-Pyox-tBu
PC1001296	(S, R) -6-CF3-Pyox-BisPh

Catalog	Name
FP35331-01	PyOxim