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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)-

tert-butyl 3-bromo-5-nitroindole-1-carboxylate

[O-][N+](=O)c1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl 3-bromo-5-nitroindole-1-carboxylate
CAS Number: 914349-31-8
Product Number: AG00H02A(AGN-PC-05W627)
Synonyms:
MDL No:
Molecular Formula: C13H13BrN2O4
Molecular Weight: 341.1573

Identification/Properties

Computed Properties
Molecular Weight:
341.161g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
340.006g/mol
Monoisotopic Mass:
340.006g/mol
Topological Polar Surface Area:
77A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
404
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#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 3-bromo-5-nitro-1H-indole-1-carboxylate is a versatile compound widely used in chemical synthesis. This compound serves as a valuable building block in the preparation of various functional molecules due to its unique chemical properties. One common application of this compound is in the synthesis of pharmaceutical intermediates, where its structural features enable the introduction of specific functionalities for drug development. Additionally, tert-Butyl 3-bromo-5-nitro-1H-indole-1-carboxylate can be utilized in the preparation of novel materials and organic compounds with tailored properties for advanced applications in industries such as organic electronics and materials science. Its role in chemical synthesis extends to the creation of specialized reagents and catalysts, contributing to the development of innovative chemical processes and transformations.