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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)-

Octanoic acid, 2,6-dibromo-4-cyanophenyl ester

CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N Request for Quotation
Chemical Name: Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
CAS Number: 1689-99-2
Product Number: AG001YDZ(AGN-PC-0JKCCM)
Synonyms:
MDL No:
Molecular Formula: C15H17Br2NO2
Molecular Weight: 403.1090

Identification/Properties

Computed Properties
Molecular Weight:
403.114g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
402.961g/mol
Monoisotopic Mass:
400.963g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
341
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#:
2811
Hazard Statements:
H301+H331-H312-H317-H361-H410
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P272-P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P308+P313-P333+P313-P391-P403+P233-P405-P501
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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