Home Nitriles 5-fluoro-2-isocyanatobenzonitrile

5-fluoro-2-isocyanatobenzonitrile

CAS No.:
923232-26-2
Catalog Number:
AG019KH2
Molecular Formula:
C8H3FN2O
Molecular Weight:
162.1206
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Product Description
Catalog Number:
AG019KH2
Chemical Name:
5-fluoro-2-isocyanatobenzonitrile
CAS Number:
923232-26-2
Molecular Formula:
C8H3FN2O
Molecular Weight:
162.1206
MDL Number:
MFCD08691395
IUPAC Name:
5-fluoro-2-isocyanatobenzonitrile
InChI:
InChI=1S/C8H3FN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H
InChI Key:
LAZVKJWOODEOIK-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C#N)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.023g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.123g/mol
Monoisotopic Mass:
162.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties