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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)-

[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl] methanesulfonate

CC(C(F)(F)F)(c1ccc(cc1)Br)OS(=O)(=O)C Request for Quotation
Chemical Name: [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl] methanesulfonate
CAS Number: 1225380-04-0
Product Number: AG0017FC(AGN-PC-0CGCIP)
Synonyms:
MDL No:
Molecular Formula: C10H10BrF3O3S
Molecular Weight: 347.1488

Identification/Properties

Computed Properties
Molecular Weight:
347.146g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
345.949g/mol
Monoisotopic Mass:
345.949g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
382
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The chemical structure of [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl] methanesulfonate (C10H10BrF3O3S) is as follows:

```
      Br
      |
H3C-C-CF3   O-SO2-CH3
     | |
    H-C-C-H
     | |
     H H
```

This structure represents a molecule with a 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl group attached to a methanesulfonate functional group.