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Home Nitriles 4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrrole-2-carbonitrile

4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrrole-2-carbonitrile

CAS No.:
1559064-11-7
Catalog Number:
AG00J2QX
Molecular Formula:
C7H5BrF2N2
Molecular Weight:
235.0288
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:
AG00J2QX
Chemical Name:
4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrrole-2-carbonitrile
CAS Number:
1559064-11-7
Molecular Formula:
C7H5BrF2N2
Molecular Weight:
235.0288
MDL Number:
MFCD26940362
IUPAC Name:
4-bromo-1-(difluoromethyl)-5-methylpyrrole-2-carbonitrile
InChI:
InChI=1S/C7H5BrF2N2/c1-4-6(8)2-5(3-11)12(4)7(9)10/h2,7H,1H3
InChI Key:
XCPAHUDFVKPHGY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(n1C(F)F)C)Br
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.96g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.032g/mol
Monoisotopic Mass:
233.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties