Home Nitriles 2-fluoro-4-isocyanatobenzonitrile

2-fluoro-4-isocyanatobenzonitrile

CAS No.:
1261606-20-5
Catalog Number:
AG01BIGL
Molecular Formula:
C8H3FN2O
Molecular Weight:
162.1206
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Product Description
Catalog Number:
AG01BIGL
Chemical Name:
2-fluoro-4-isocyanatobenzonitrile
CAS Number:
1261606-20-5
Molecular Formula:
C8H3FN2O
Molecular Weight:
162.1206
MDL Number:
MFCD18394084
IUPAC Name:
2-fluoro-4-isocyanatobenzonitrile
InChI:
InChI=1S/C8H3FN2O/c9-8-3-7(11-5-12)2-1-6(8)4-10/h1-3H
InChI Key:
YGUFPWNXFXCOPZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)F)C#N
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