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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)-

1,2-Benzisoxazole, 3-chloro-5-methyl-

Cc1ccc2c(c1)c(Cl)no2 Request for Quotation
Chemical Name: 1,2-Benzisoxazole, 3-chloro-5-methyl-
CAS Number: 196708-35-7
Product Number: AG007R41(AGN-PC-00PAIK)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNO
Molecular Weight: 167.5923

Identification/Properties

Computed Properties
Molecular Weight:
167.592g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
167.014g/mol
Monoisotopic Mass:
167.014g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
153
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


In chemical synthesis, 3-Chloro-5-methylbenzo[d]isoxazole serves as a versatile building block for the creation of various organic compounds. This compound is particularly useful in the formation of heterocyclic structures, which are prevalent in pharmaceuticals, agrochemicals, and materials science. By utilizing 3-Chloro-5-methylbenzo[d]isoxazole as a key intermediate, chemists can access a wide array of functionalized molecules with diverse properties and applications. Moreover, the unique structural features of 3-Chloro-5-methylbenzo[d]isoxazole make it a valuable tool for designing novel chemical entities with potential biological activities or specific functionalities.