Imidacloprid

CAT: 0127-BUP14750-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14750-02Size:100 mg

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

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CAS Number

138261-41-3

Purity

=98%

Smiles

[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1

Chemical Information

Imidacloprid

(E)-imidacloprid is the E-isomer of imidacloprid.

CAS Number	138261-41-3
PubChem CID	86287518
IUPAC Name	(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide
Molecular Formula	C9H10ClN5O2
Molecular Weight	255.66
XLogP	1.2
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	319

SMILES

C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

InChIKey

YWTYJOPNNQFBPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138261-41-3

CID: 86287518

Formula: C9H10ClN5O2

MW: 255.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.66
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	255.0523023
Monoisotopic Mass	255.0523023
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	319
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
FC126741-01	Imidacloprid