Home Nitriles 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile

2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile

CAS No.:
1381944-30-4
Catalog Number:
AG00185Y
Molecular Formula:
C9H5BrF3NO
Molecular Weight:
280.0413
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$125
- +
250mg
98%
In Stock USA
United States
$250
- +
1g
98%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00185Y
Chemical Name:
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CAS Number:
1381944-30-4
Molecular Formula:
C9H5BrF3NO
Molecular Weight:
280.0413
MDL Number:
MFCD22375096
IUPAC Name:
2-[5-bromo-2-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H5BrF3NO/c10-7-1-2-8(15-9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2
InChI Key:
CPMGKPWSHGWONW-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)ccc1OC(F)(F)F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.951g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.044g/mol
Monoisotopic Mass:
278.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties