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1897-53-6 | 1,4-Benzenedicarbonitrile, 2-fluoro-
CAS No: 1897-53-6 Catalog No: AG002DX6 MDL No:MFCD01657004
Product Description
Catalog Number:
AG002DX6
Chemical Name:
1,4-Benzenedicarbonitrile, 2-fluoro-
CAS Number:
1897-53-6
Molecular Formula:
C8H3FN2
Molecular Weight:
146.1212
MDL Number:
MFCD01657004
IUPAC Name:
2-fluorobenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H
InChI Key:
DULBJBXBNLVFBI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C#N
Properties
Complexity:
231
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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