Home Nitriles Propanenitrile, 3-[(4-fluorophenyl)amino]- (9CI)

Propanenitrile, 3-[(4-fluorophenyl)amino]- (9CI)

CAS No.:
380190-11-4
Catalog Number:
AG00CI80
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
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Product Description
Catalog Number:
AG00CI80
Chemical Name:
Propanenitrile, 3-[(4-fluorophenyl)amino]- (9CI)
CAS Number:
380190-11-4
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
MDL Number:
MFCD01910095
IUPAC Name:
3-(4-fluoroanilino)propanenitrile
InChI:
InChI=1S/C9H9FN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,12H,1,7H2
InChI Key:
DIHLACQYYVISRW-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccc(cc1)F
Properties
Complexity:
165  
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