Home Other Building Blocks 1-(Bromomethyl)-4-(trifluoromethyl)benzene

1-(Bromomethyl)-4-(trifluoromethyl)benzene

CAS No.:
402-49-3
Catalog Number:
AG0033U8
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$7
- +
5g
98%
1 week
United States
$9
- +
10g
98%
1 week
United States
$14
- +
25g
98%
1 week
United States
$24
- +
Product Description
Catalog Number:
AG0033U8
Chemical Name:
1-(Bromomethyl)-4-(trifluoromethyl)benzene
CAS Number:
402-49-3
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD00000403
IUPAC Name:
1-(bromomethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChI Key:
IKSNDOVDVVPSMA-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(F)(F)F
EC Number:
206-947-8
Properties
Complexity:
136  
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:
3.5  
Literature
Title Journal
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
Syntheses, derivatives, solubility, and interfacial properties of 2-methyl-2-polyfluoroalkenyloxymethyl-1,3-propanediols: potential building blocks for syntheses of amphiphatic macromolecules. The Journal of organic chemistry 20020308
Properties