Home Nitriles 1-(2-fluoroethyl)-1H-pyrazole-4-carbonitrile

1-(2-fluoroethyl)-1H-pyrazole-4-carbonitrile

CAS No.:
1427022-57-8
Catalog Number:
AG01C73S
Molecular Formula:
C6H6FN3
Molecular Weight:
139.1303
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Product Description
Catalog Number:
AG01C73S
Chemical Name:
1-(2-fluoroethyl)-1H-pyrazole-4-carbonitrile
CAS Number:
1427022-57-8
Molecular Formula:
C6H6FN3
Molecular Weight:
139.1303
MDL Number:
MFCD23130724
IUPAC Name:
1-(2-fluoroethyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H6FN3/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2H2
InChI Key:
VQAJCJSXIBDFDA-UHFFFAOYSA-N
SMILES:
FCCn1cc(cn1)C#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.055g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.133g/mol
Monoisotopic Mass:
139.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties