Home Nitriles 5-Bromo-2-(trifluoromethyl)isonicotinonitrile

5-Bromo-2-(trifluoromethyl)isonicotinonitrile

CAS No.:
1070892-04-4
Catalog Number:
AG007B5V
Molecular Formula:
C7H2BrF3N2
Molecular Weight:
251.0034
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$323
- +
1g
95%
1 week
United States
$750
- +
Product Description
Catalog Number:
AG007B5V
Chemical Name:
5-Bromo-2-(trifluoromethyl)isonicotinonitrile
CAS Number:
1070892-04-4
Molecular Formula:
C7H2BrF3N2
Molecular Weight:
251.0034
MDL Number:
MFCD18261445
IUPAC Name:
5-bromo-2-(trifluoromethyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C7H2BrF3N2/c8-5-3-13-6(7(9,10)11)1-4(5)2-12/h1,3H
InChI Key:
XBGQKEABZCTRRT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ncc1Br)C(F)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.935g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.006g/mol
Monoisotopic Mass:
249.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties