Home Nitriles 2-(5-fluoropyrimidin-2-yl)acetonitrile

2-(5-fluoropyrimidin-2-yl)acetonitrile

CAS No.:
1227599-49-6
Catalog Number:
AG01C3PL
Molecular Formula:
C6H4FN3
Molecular Weight:
137.1145
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Product Description
Catalog Number:
AG01C3PL
Chemical Name:
2-(5-fluoropyrimidin-2-yl)acetonitrile
CAS Number:
1227599-49-6
Molecular Formula:
C6H4FN3
Molecular Weight:
137.1145
MDL Number:
MFCD16611295
IUPAC Name:
2-(5-fluoropyrimidin-2-yl)acetonitrile
InChI:
InChI=1S/C6H4FN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2
InChI Key:
VYPOSBDIBQYDLM-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(cn1)F
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.039g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.117g/mol
Monoisotopic Mass:
137.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties