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Metobromuron

CAT: 0804-HY-154817-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-154817-02Size:100 mg
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Description
Metobromuron is a phenylurea derivative used as a herbicide[1].
CAS Number
3060-89-7
UNSPSC
12352005
Hazard Statement
H302+H332
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/metobromuron.html
Purity
99.37
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N(C)OC)NC1=CC=C(C=C1)Br
Molecular Formula
C9H11BrN2O2
Molecular Weight
259.10
Precautions
P261-P264-P270-P271-P304+P340-P330-P501
References & Citations
[1]Metobromuron. Handbook of Analytical Separations, 2003.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Metobromuron

Metobromuron is a member of ureas.

CAS Number3060-89-7
PubChem CID18290
IUPAC Name3-(4-bromophenyl)-1-methoxy-1-methylurea
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10
XLogP2.4
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
CN(C(=O)NC1=CC=C(C=C1)Br)OC
InChI
InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
WLFDQEVORAMCIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metobromuron
CAS: 3060-89-7
CID: 18290
Formula: C9H11BrN2O2
MW: 259.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.10
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass258.00039
Monoisotopic Mass258.00039
Topological Polar Surface Area41.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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

Alternative Products

CatalogName
TRC-M371883-500MGMetobromuron
S-2574Metobromuron - 1ML
M371884Metobromuron-d6 (methoxy-d3; N-methyl-d3)

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