Home Nitriles 4-fluoro-5-methoxy-2-nitrobenzonitrile

4-fluoro-5-methoxy-2-nitrobenzonitrile

CAS No.:
2060006-03-1
Catalog Number:
AG01BVO9
Molecular Formula:
C8H5FN2O3
Molecular Weight:
196.1353
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Product Description
Catalog Number:
AG01BVO9
Chemical Name:
4-fluoro-5-methoxy-2-nitrobenzonitrile
CAS Number:
2060006-03-1
Molecular Formula:
C8H5FN2O3
Molecular Weight:
196.1353
MDL Number:
MFCD30180141
IUPAC Name:
4-fluoro-5-methoxy-2-nitrobenzonitrile
InChI:
InChI=1S/C8H5FN2O3/c1-14-8-2-5(4-10)7(11(12)13)3-6(8)9/h2-3H,1H3
InChI Key:
PBNOIPMUEJPJGQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OC)c(cc1[N+](=O)[O-])F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.137g/mol
Monoisotopic Mass:
196.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties