Home Nitriles 2-(4-amino-2-fluorophenoxy)benzonitrile

2-(4-amino-2-fluorophenoxy)benzonitrile

CAS No.:
1039334-67-2
Catalog Number:
AG019T0D
Molecular Formula:
C13H9FN2O
Molecular Weight:
228.2218
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Product Description
Catalog Number:
AG019T0D
Chemical Name:
2-(4-amino-2-fluorophenoxy)benzonitrile
CAS Number:
1039334-67-2
Molecular Formula:
C13H9FN2O
Molecular Weight:
228.2218
MDL Number:
MFCD11193302
IUPAC Name:
2-(4-amino-2-fluorophenoxy)benzonitrile
InChI:
InChI=1S/C13H9FN2O/c14-11-7-10(16)5-6-13(11)17-12-4-2-1-3-9(12)8-15/h1-7H,16H2
InChI Key:
LWCBMXFEHUHNTC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Oc1ccc(cc1F)N
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.07g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.226g/mol
Monoisotopic Mass:
228.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties