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Monuron-d6

CAT: 0804-HY-B1875S-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1875S-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Monuron-d6 is the deuterium labeled Monuron. Monuron is a phenylurea herbicide.
CAS Number
217488-65-8
UNSPSC
12352005
Hazard Statement
H302-H351-H410
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])N(C([2H])([2H])[2H])C(NC1=CC=C(C=C1)Cl)=O
Molecular Formula
C9H5D6ClN2O
Molecular Weight
204.69
Precautions
P264-P270-P273-P280-P330-P391-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Monuron D6
CAS Number217488-65-8
PubChem CID76974695
IUPAC Name3-(4-chlorophenyl)-1,1-bis(trideuteriomethyl)urea
Molecular FormulaC9H11ClN2O
Molecular Weight204.68
XLogP1.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
[2H]C([2H])([2H])N(C(=O)NC1=CC=C(C=C1)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)/i1D3,2D3
InChIKey
BMLIZLVNXIYGCK-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Monuron D6
CAS: 217488-65-8
CID: 76974695
Formula: C9H11ClN2O
MW: 204.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.68
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass204.0936511
Monoisotopic Mass204.0936511
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count6
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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