Home Nitriles 2-fluoro-6-forMylbenzonitrile

2-fluoro-6-forMylbenzonitrile

CAS No.:
1261823-28-2
Catalog Number:
AG009Y2K
Molecular Formula:
C8H4FNO
Molecular Weight:
149.1219
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Product Description
Catalog Number:
AG009Y2K
Chemical Name:
2-fluoro-6-forMylbenzonitrile
CAS Number:
1261823-28-2
Molecular Formula:
C8H4FNO
Molecular Weight:
149.1219
MDL Number:
MFCD18394004
IUPAC Name:
2-fluoro-6-formylbenzonitrile
InChI:
InChI=1S/C8H4FNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H
InChI Key:
PDDGTQCMSDSHFX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C#N)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.124g/mol
Monoisotopic Mass:
149.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties