Home Nitriles 4-Bromo-1-(difluoromethyl)-1H-pyrrole-2-carbonitrile

4-Bromo-1-(difluoromethyl)-1H-pyrrole-2-carbonitrile

CAS No.:
1559067-57-0
Catalog Number:
AG00J2QS
Molecular Formula:
C6H3BrF2N2
Molecular Weight:
221.0022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00J2QS
Chemical Name:
4-Bromo-1-(difluoromethyl)-1H-pyrrole-2-carbonitrile
CAS Number:
1559067-57-0
Molecular Formula:
C6H3BrF2N2
Molecular Weight:
221.0022
MDL Number:
MFCD26940361
IUPAC Name:
4-bromo-1-(difluoromethyl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C6H3BrF2N2/c7-4-1-5(2-10)11(3-4)6(8)9/h1,3,6H
InChI Key:
MRJMFZOFUDEWBK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn1C(F)F)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.005g/mol
Monoisotopic Mass:
219.945g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties