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Home Other Building Blocks 2-(Trifluoromethyl)benzyl bromide

2-(Trifluoromethyl)benzyl bromide

CAS No.:
395-44-8
Catalog Number:
AG003F5O
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
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Purity
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25g
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United States
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Product Description
Catalog Number:
AG003F5O
Chemical Name:
2-(Trifluoromethyl)benzyl bromide
CAS Number:
395-44-8
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD00013558
IUPAC Name:
1-(bromomethyl)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChI Key:
TXVVVEUSVBLDED-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1C(F)(F)F
EC Number:
206-901-7
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.96g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.035g/mol
Monoisotopic Mass:
237.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
1-(Pyridin-2-yl)-2-[2-(trifluoro-meth-yl)benz-yl]-3-[2-(trifluoro-meth-yl)phen-yl]propan-1-one. Acta crystallographica. Section E, Structure reports online 20120301
Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound. Journal of combinatorial chemistry 20090112
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. Journal of combinatorial chemistry 20090112
Properties