1-(4-fluorophenyl)-1-[1,1,2,2,3,3-hexadeuterio-3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide|59729-32-7,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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-(4-fluorophenyl)-1-[1,1,2,2,3,3-hexadeuterio-3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide

N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F.Br

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Chemical Name:	1-(4-fluorophenyl)-1-[1,1,2,2,3,3-hexadeuterio-3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
CAS Number:	59729-32-7
Product Number:	AG00IALI(AGN-PC-07CF71)
Synonyms:
MDL No:	MFCD02101306
Molecular Formula:	C20H22BrFN2O
Molecular Weight:	405.3039

Identification/Properties
Safety Information
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Identification/Properties

Properties

MP:

182-188 °C

Storage:

Inert atmosphere;2-8℃;

Form:

Solid

Computed Properties

Molecular Weight:

405.311g/mol

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

404.09g/mol

Monoisotopic Mass:

404.09g/mol

Topological Polar Surface Area:

36.3A^2

Heavy Atom Count:

Formal Charge:

Complexity:

466

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

N/A

Hazard Statements:

H302

Precautionary Statements:

P280-P305+P351+P338

Class:

N/A

Packing Group:

N/A

NMR Spectrum

Other Analytical Data

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

Tris(dibenzylideneacetone)dipalladium

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-(4-fluorophenyl)-1-[1,1,2,2,3,3-hexadeuterio-3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide

Identification/Properties

Safety Information

NMR Spectrum

Other Analytical Data

Request for Quotation

Customer Feedback