Home Nitriles 2-[1-(difluoromethyl)-1H-imidazol-2-yl]acetonitrile

2-[1-(difluoromethyl)-1H-imidazol-2-yl]acetonitrile

CAS No.:
1193390-38-3
Catalog Number:
AG019WKM
Molecular Formula:
C6H5F2N3
Molecular Weight:
157.1208
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Product Description
Catalog Number:
AG019WKM
Chemical Name:
2-[1-(difluoromethyl)-1H-imidazol-2-yl]acetonitrile
CAS Number:
1193390-38-3
Molecular Formula:
C6H5F2N3
Molecular Weight:
157.1208
MDL Number:
MFCD12913081
IUPAC Name:
2-[1-(difluoromethyl)imidazol-2-yl]acetonitrile
InChI:
InChI=1S/C6H5F2N3/c7-6(8)11-4-3-10-5(11)1-2-9/h3-4,6H,1H2
InChI Key:
PVARDTHPGOARRX-UHFFFAOYSA-N
SMILES:
N#CCc1nccn1C(F)F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.124g/mol
Monoisotopic Mass:
157.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties