Home Nitriles 3-fluoro-4-(morpholin-4-yl)benzonitrile

3-fluoro-4-(morpholin-4-yl)benzonitrile

CAS No.:
588708-64-9
Catalog Number:
AG019ZZD
Molecular Formula:
C11H11FN2O
Molecular Weight:
206.2162
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Product Description
Catalog Number:
AG019ZZD
Chemical Name:
3-fluoro-4-(morpholin-4-yl)benzonitrile
CAS Number:
588708-64-9
Molecular Formula:
C11H11FN2O
Molecular Weight:
206.2162
MDL Number:
MFCD03168028
IUPAC Name:
3-fluoro-4-morpholin-4-ylbenzonitrile
InChI:
InChI=1S/C11H11FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChI Key:
QRRSOXPTKLNRCM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)N1CCOCC1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.086g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.22g/mol
Monoisotopic Mass:
206.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties