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Imidacloprid-olefin

CAT: 0572-TRC-I274995-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I274995-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115086-54-9
Synonyms
1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-1H-imidazol-2-amine; NTN 33893-olefin; NTN 35884
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)NC1=[N](Cc2ccc(Cl)nc2)C=CN1
Molecular Formula
C9 H10 Cl N5 O2
Molecular Weight
254.65
InChI
InChI=1S/C9H9ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5,11,13H,6H2
Additionnal Information
IUPAC name: N-[3-[(6-chloropyridin-3-yl)methyl]-1H-imidazol-2-yl]nitramide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Imidacloprid-olefin

Imidacloprid-olefin is an organic molecular entity. It has a role as a neonicotinoid insectide.

CAS Number115086-54-9
PubChem CID14626249
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methyl]imidazol-2-yl]nitramide
Molecular FormulaC9H8ClN5O2
Molecular Weight253.64
XLogP2
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity275
SMILES
C1=CC(=NC=C1CN2C=CN=C2N[N+](=O)[O-])Cl
InChI
InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)
InChIKey
TYLCDJYHUVCRBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidacloprid-olefin
CAS: 115086-54-9
CID: 14626249
Formula: C9H8ClN5O2
MW: 253.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.64
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass253.0366522
Monoisotopic Mass253.0366522
Topological Polar Surface Area88.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity275
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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