Cycloxaprid

CAT: 0926-DYB79141-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DYB79141-01Size:50 mg

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CAS Number

1203791-41-6

Smiles

CC1=CC=CC=C1C2=CN=CO2

Molecular Formula

C14H15ClN4O3

Molecular Weight

322.75 g/mol

Controlled

Chemical Information

Cycloxaprid

a neonicotinoid insecticide; structure in first source

CAS Number	1203791-41-6
PubChem CID	76329516
IUPAC Name	(1R,8S)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
Molecular Formula	C14H15ClN4O3
Molecular Weight	322.75
XLogP	2.1
Topological Polar Surface Area	74.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	509

SMILES

C1C[C@@H]2N3CCN(C3=C([C@H]1O2)[N+](=O)[O-])CC4=CN=C(C=C4)Cl

InChI

InChI=1S/C14H15ClN4O3/c15-11-3-1-9(7-16-11)8-17-5-6-18-12-4-2-10(22-12)13(14(17)18)19(20)21/h1,3,7,10,12H,2,4-6,8H2/t10-,12+/m0/s1

InChIKey

NDHXMRFNYMNBKO-CMPLNLGQSA-N

Chemical Structure

2D Structure

CAS: 1203791-41-6

CID: 76329516

Formula: C14H15ClN4O3

MW: 322.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.75
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	322.0832680
Monoisotopic Mass	322.0832680
Topological Polar Surface Area	74.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	509
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C08747-01	Cycloxaprid