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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)-

1H-Indole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester

N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1H-Indole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester
CAS Number: 348640-12-0
Product Number: AG007H6F(AGN-PC-05W620)
Synonyms:
MDL No:
Molecular Formula: C14H13BrN2O2
Molecular Weight: 321.1692

Identification/Properties

Computed Properties
Molecular Weight:
321.174g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
320.016g/mol
Monoisotopic Mass:
320.016g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
409
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:
Danger
UN#:
1759
Hazard Statements:
H302-H315-H318-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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