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Ipfencarbazone

CAT: 0804-HY-17515-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17515-01Size:5 mg
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Description
Ipfencarbazone is a herbicide used to control weeds such as water grass in rice.
CAS Number
212201-70-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335-H413
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ipfencarbazone.html
Purity
99.57
Solubility
DMSO : 130 mg/mL (ultrasonic)
Smiles
O=C(N1C=NN(C2=CC=C(Cl)C=C2Cl)C1=O)N(C3=CC=C(F)C=C3F)C(C)C
Molecular Formula
C18H14Cl2F2N4O2
Molecular Weight
427.23
Precautions
P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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

Ipfencarbazone

an herbicide; structure in first source

CAS Number212201-70-2
PubChem CID15457339
IUPAC Name1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
Molecular FormulaC18H14Cl2F2N4O2
Molecular Weight427.2
XLogP4.7
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity639
SMILES
CC(C)N(C1=C(C=C(C=C1)F)F)C(=O)N2C=NN(C2=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3
InChIKey
DHYXNIKICPUXJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ipfencarbazone
CAS: 212201-70-2
CID: 15457339
Formula: C18H14Cl2F2N4O2
MW: 427.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.2
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass426.0461874
Monoisotopic Mass426.0461874
Topological Polar Surface Area56.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity639
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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