Home Nitriles 4-(trifluoromethyl)-1H-imidazole-5-carbonitrile

4-(trifluoromethyl)-1H-imidazole-5-carbonitrile

CAS No.:
1935440-02-0
Catalog Number:
AG01C45F
Molecular Formula:
C5H2F3N3
Molecular Weight:
161.0847
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Product Description
Catalog Number:
AG01C45F
Chemical Name:
4-(trifluoromethyl)-1H-imidazole-5-carbonitrile
CAS Number:
1935440-02-0
Molecular Formula:
C5H2F3N3
Molecular Weight:
161.0847
MDL Number:
MFCD30342645
IUPAC Name:
5-(trifluoromethyl)-1H-imidazole-4-carbonitrile
InChI:
InChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)10-2-11-4/h2H,(H,10,11)
InChI Key:
VMARNLNIJSDAQF-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]cnc1C(F)(F)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.087g/mol
Monoisotopic Mass:
161.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties