Home Halogens 3-Bromo-4-chlorobenzotrifluoride

3-Bromo-4-chlorobenzotrifluoride

CAS No.:
454-78-4
Catalog Number:
AG0033M5
Molecular Formula:
C7H3BrClF3
Molecular Weight:
259.4509
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$63
- +
500g
97%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0033M5
Chemical Name:
3-Bromo-4-chlorobenzotrifluoride
CAS Number:
454-78-4
Molecular Formula:
C7H3BrClF3
Molecular Weight:
259.4509
MDL Number:
MFCD00018093
IUPAC Name:
2-bromo-1-chloro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChI Key:
APSISOSWYXCEQX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Br)C(F)(F)F
EC Number:
207-226-0
NSC Number:
59728
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.906g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.45g/mol
Monoisotopic Mass:
257.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties