Home Nitriles 3-Bromo-5-(trifluoromethoxy)benzonitrile

3-Bromo-5-(trifluoromethoxy)benzonitrile

CAS No.:
914635-52-2
Catalog Number:
AG00H08L
Molecular Formula:
C8H3BrF3NO
Molecular Weight:
266.0147
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
25g
95%
In Stock USA
United States
$1037
- +
100g
95%
In Stock USA
United States
$2588
- +
Product Description
Catalog Number:
AG00H08L
Chemical Name:
3-Bromo-5-(trifluoromethoxy)benzonitrile
CAS Number:
914635-52-2
Molecular Formula:
C8H3BrF3NO
Molecular Weight:
266.0147
MDL Number:
MFCD08458074
IUPAC Name:
3-bromo-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H
InChI Key:
PQPKERBGCBHRJO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)Br)OC(F)(F)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.017g/mol
Monoisotopic Mass:
264.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties