Home Nitriles 2-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]acetonitrile

2-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]acetonitrile

CAS No.:
929975-81-5
Catalog Number:
AG019KI4
Molecular Formula:
C10H7F2N3
Molecular Weight:
207.1795
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Product Description
Catalog Number:
AG019KI4
Chemical Name:
2-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]acetonitrile
CAS Number:
929975-81-5
Molecular Formula:
C10H7F2N3
Molecular Weight:
207.1795
MDL Number:
MFCD09040488
IUPAC Name:
2-[1-(difluoromethyl)benzimidazol-2-yl]acetonitrile
InChI:
InChI=1S/C10H7F2N3/c11-10(12)15-8-4-2-1-3-7(8)14-9(15)5-6-13/h1-4,10H,5H2
InChI Key:
XJOCJOKXQLDZAU-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(n1C(F)F)cccc2
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.184g/mol
Monoisotopic Mass:
207.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties