Home Nitriles 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-

1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-

CAS No.:
131341-86-1
Catalog Number:
AG000VZ3
Molecular Formula:
C12H6F2N2O2
Molecular Weight:
248.1850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$235
- +
5g
98%(HPLC)
In Stock USA
United States
$665
- +
10g
98%(HPLC)
In Stock USA
United States
$1096
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Product Description
Catalog Number:
AG000VZ3
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
CAS Number:
131341-86-1
Molecular Formula:
C12H6F2N2O2
Molecular Weight:
248.1850
MDL Number:
MFCD01631158
IUPAC Name:
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
InChI Key:
MUJOIMFVNIBMKC-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F
UNII:
ENS9J0YM16
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.04g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.189g/mol
Monoisotopic Mass:
248.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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