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453565-55-4 | 5-Fluoroisophthalonitrile
CAS No: 453565-55-4 Catalog No: AG003IM8 MDL No:MFCD05663831
Product Description
Catalog Number:
AG003IM8
Chemical Name:
5-Fluoroisophthalonitrile
CAS Number:
453565-55-4
Molecular Formula:
C8H3FN2
Molecular Weight:
146.1212
MDL Number:
MFCD05663831
IUPAC Name:
5-fluorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H3FN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H
InChI Key:
IJOYGTWYIUJJRU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1)C#N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.124g/mol
Monoisotopic Mass:
146.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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