Home Nitriles 3-(aminomethyl)-4-fluorobenzonitrile

3-(aminomethyl)-4-fluorobenzonitrile

CAS No.:
1016798-28-9
Catalog Number:
AG019R6U
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
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Product Description
Catalog Number:
AG019R6U
Chemical Name:
3-(aminomethyl)-4-fluorobenzonitrile
CAS Number:
1016798-28-9
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
MDL Number:
MFCD09947814
IUPAC Name:
3-(aminomethyl)-4-fluorobenzonitrile
InChI:
InChI=1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,5,11H2
InChI Key:
CBGQYNXOSNYCDA-UHFFFAOYSA-N
SMILES:
NCc1cc(C#N)ccc1F
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.156g/mol
Monoisotopic Mass:
150.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties