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5-Hydro-Imidacloprid

CAT: 0572-TRC-H943220-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943220-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380912-09-4
Synonyms
3-Pyridinol, 2-chloro-5-[[4,5-dihydro-2-(nitroamino)-1H-imidazol-1-yl]methyl]-; 2-Chloro-5-[[4,5-dihydro-2-(nitroamino)-1H-imidazol-1-yl]methyl]-3-pyridinol
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1cc(CN2CCN=C2N[N+](=O)[O-])cnc1Cl
Molecular Formula
C9 H10 Cl N5 O3
Molecular Weight
271.66
InChI
InChI=1S/C9H10ClN5O3/c10-8-7(16)3-6(4-12-8)5-14-2-1-11-9(14)13-15(17)18/h3-4,16H,1-2,5H2,(H,11,13)
Additionnal Information
IUPAC name: N-[1-[(6-chloro-5-hydroxypyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Imidacloprid-3-hydroxy
CAS Number380912-09-4
PubChem CID125288315
IUPAC NameN-[1-[(6-chloro-5-hydroxy-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
Molecular FormulaC9H10ClN5O3
Molecular Weight271.66
XLogP0.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity348
SMILES
C1CN(C(=N1)N[N+](=O)[O-])CC2=CC(=C(N=C2)Cl)O
InChI
InChI=1S/C9H10ClN5O3/c10-8-7(16)3-6(4-12-8)5-14-2-1-11-9(14)13-15(17)18/h3-4,16H,1-2,5H2,(H,11,13)
InChIKey
AAGLTWPPIMEDKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidacloprid-3-hydroxy
CAS: 380912-09-4
CID: 125288315
Formula: C9H10ClN5O3
MW: 271.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.66
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass271.0472169
Monoisotopic Mass271.0472169
Topological Polar Surface Area107 Ų
Heavy Atom Count18
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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