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Home > Fluorides > 122546-74-1
122546-74-1 | 1,3-Benzenedicarbonitrile, 2,5-difluoro-
CAS No: 122546-74-1 Catalog No: AG0017FH MDL No:
Product Description
Catalog Number:
AG0017FH
Chemical Name:
1,3-Benzenedicarbonitrile, 2,5-difluoro-
CAS Number:
122546-74-1
Molecular Formula:
C8H2F2N2
Molecular Weight:
164.1117
IUPAC Name:
2,5-difluorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H2F2N2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H
InChI Key:
MWGSTFSKJGWSGR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1F)C#N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.115g/mol
Monoisotopic Mass:
164.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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