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Home Halogens 3-Bromobenzotrifluoride

3-Bromobenzotrifluoride

CAS No.:
401-78-5
Catalog Number:
AG0039BE
Molecular Formula:
C7H4BrF3
Molecular Weight:
225.0059
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$25
- +
100g
96%
In Stock USA
United States
$63
- +
500g
98%(HPLC)
In Stock USA
United States
$289
- +
Product Description
Catalog Number:
AG0039BE
Chemical Name:
3-Bromobenzotrifluoride
CAS Number:
401-78-5
Molecular Formula:
C7H4BrF3
Molecular Weight:
225.0059
MDL Number:
MFCD00000380
IUPAC Name:
1-bromo-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChI Key:
NNMBNYHMJRJUBC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(F)(F)F
EC Number:
206-932-6
NSC Number:
9468
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.008g/mol
Monoisotopic Mass:
223.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
4-Meth-oxy-2-nitro-4'-(trifluoro-meth-yl)biphen-yl. Acta crystallographica. Section E, Structure reports online 20111101
5,5-Bis(4-methoxy-phen-yl)-2,8-bis-[3-(trifluoro-meth-yl)phen-yl]-5H-cyclo-penta-[2,1-b:3,4-b']dipyridine. Acta crystallographica. Section E, Structure reports online 20081101
Properties