Home Nitriles 2-((3,5-difluorophenyl)amino)acetonitrile

2-((3,5-difluorophenyl)amino)acetonitrile

CAS No.:
1021238-97-0
Catalog Number:
AG01DIDV
Molecular Formula:
C8H6F2N2
Molecular Weight:
168.1434
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Product Description
Catalog Number:
AG01DIDV
Chemical Name:
2-((3,5-difluorophenyl)amino)acetonitrile
CAS Number:
1021238-97-0
Molecular Formula:
C8H6F2N2
Molecular Weight:
168.1434
MDL Number:
MFCD11153981
IUPAC Name:
2-(3,5-difluoroanilino)acetonitrile
InChI:
InChI=1S/C8H6F2N2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,12H,2H2
InChI Key:
ZHUFMZZUZCLUDC-UHFFFAOYSA-N
SMILES:
N#CCNc1cc(F)cc(c1)F
Properties
Complexity:
177  
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:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties