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Ipfencarbazone - ≥99%, high purity , CAS No.212201-70-2

COA

Grade & Purity:

≥99%

Cas Number: 212201-70-2
Molecular Weight: 427.232
PubChem CID: 15457339

In stock

Item Number

I728416

Grouped product items
SKU	Size	Availability	Price	Qty
I728416-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90
I728416-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$993.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Phenyltriazoles
        Level6 Phenyl-1,2,4-triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Phenyltriazoles
Direct Parent	Phenyl-1,2,4-triazoles
Alternative Parents	N-phenylureas Dichlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Triazolines Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-triazole - N-phenylurea - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Urea - Azacycle - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
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
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
Isomeric 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
PubChem CID	15457339
Molecular Weight	427.232

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	427.200 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	426.046 Da
Monoisotopic Mass	426.046 Da
Topological Polar Surface Area	56.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	639.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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