Home Nitriles 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

CAS No.:
763114-25-6
Catalog Number:
AG005E6Z
Molecular Formula:
C16H8FNO2
Molecular Weight:
265.2386
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Product Description
Catalog Number:
AG005E6Z
Chemical Name:
2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile
CAS Number:
763114-25-6
Molecular Formula:
C16H8FNO2
Molecular Weight:
265.2386
MDL Number:
MFCD13181869
IUPAC Name:
2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
InChI:
InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8-
InChI Key:
MMPHWTMMVPBHRZ-NVNXTCNLSA-N
SMILES:
N#Cc1cc(ccc1F)C=C1OC(=O)c2c1cccc2
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
265.054g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.243g/mol
Monoisotopic Mass:
265.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties