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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)-

Benzoic acid, 3-bromo-5-cyano-, methyl ester

COC(=O)c1cc(Br)cc(c1)C#N Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-5-cyano-, methyl ester
CAS Number: 453566-15-9
Product Number: AG003RRH(AGN-PC-03I2BR)
Synonyms:
MDL No: MFCD16620379
Molecular Formula: C9H6BrNO2
Molecular Weight: 240.0534

Identification/Properties

Properties
BP:
301.3±27.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
240.056g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
238.958g/mol
Monoisotopic Mass:
238.958g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
245
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#:
3439
Hazard Statements:
H302+H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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