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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoic acid

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Chemical Name: 2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoic acid
CAS Number: 842977-25-7
Product Number: AG00G31Y(AGN-PC-0WAKAH)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
223.616g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
223.015g/mol
Monoisotopic Mass:
223.015g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
246
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Chloro-5-(4H-1,2,4-triazol-4-yl)benzoic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis processes. This compound serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and materials due to its unique structural properties. In chemical synthesis, $name$ is commonly used as a precursor in the creation of heterocyclic compounds, which are vital in drug discovery and development. Its presence helps to introduce functional groups that impart specific properties to the final products, enhancing their efficacy and overall performance. Additionally, the reactivity of the triazole ring in the structure of $name$ enables selective modification and derivatization, allowing for the fine-tuning of molecular structures for targeted applications in the field of organic chemistry.