Home Nitriles 4-(Aminomethyl)-3,5-difluorobenzonitrile

4-(Aminomethyl)-3,5-difluorobenzonitrile

CAS No.:
633336-81-9
Catalog Number:
AG01E793
Molecular Formula:
C8H6F2N2
Molecular Weight:
168.1434
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Product Description
Catalog Number:
AG01E793
Chemical Name:
4-(Aminomethyl)-3,5-difluorobenzonitrile
CAS Number:
633336-81-9
Molecular Formula:
C8H6F2N2
Molecular Weight:
168.1434
MDL Number:
MFCD16876870
IUPAC Name:
4-(aminomethyl)-3,5-difluorobenzonitrile
InChI:
InChI=1S/C8H6F2N2/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2H,4,12H2
InChI Key:
GJJOHACEMLNFRG-UHFFFAOYSA-N
SMILES:
NCc1c(F)cc(cc1F)C#N
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.147g/mol
Monoisotopic Mass:
168.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties