Home Nitriles Propanenitrile, 3-[(2-fluorophenyl)amino]- (9CI)

Propanenitrile, 3-[(2-fluorophenyl)amino]- (9CI)

CAS No.:
192811-51-1
Catalog Number:
AG00BB8A
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
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Product Description
Catalog Number:
AG00BB8A
Chemical Name:
Propanenitrile, 3-[(2-fluorophenyl)amino]- (9CI)
CAS Number:
192811-51-1
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
MDL Number:
MFCD02720738
IUPAC Name:
3-(2-fluoroanilino)propanenitrile
InChI:
InChI=1S/C9H9FN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2
InChI Key:
VENLUHCIJJCGSR-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccccc1F
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.183g/mol
Monoisotopic Mass:
164.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties