Home Nitriles 2-[(2-fluorophenyl)amino]-2,3-dimethylbutanenitrile

2-[(2-fluorophenyl)amino]-2,3-dimethylbutanenitrile

CAS No.:
1184043-31-9
Catalog Number:
AG01AB5C
Molecular Formula:
C12H15FN2
Molecular Weight:
206.2593
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Product Description
Catalog Number:
AG01AB5C
Chemical Name:
2-[(2-fluorophenyl)amino]-2,3-dimethylbutanenitrile
CAS Number:
1184043-31-9
Molecular Formula:
C12H15FN2
Molecular Weight:
206.2593
MDL Number:
MFCD12816901
IUPAC Name:
2-(2-fluoroanilino)-2,3-dimethylbutanenitrile
InChI:
InChI=1S/C12H15FN2/c1-9(2)12(3,8-14)15-11-7-5-4-6-10(11)13/h4-7,9,15H,1-3H3
InChI Key:
MBLQZMLENDNWDJ-UHFFFAOYSA-N
SMILES:
N#CC(C(C)C)(Nc1ccccc1F)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.264g/mol
Monoisotopic Mass:
206.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties