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89482-96-2 | Propanedinitrile, [(pentafluorophenyl)phenylmethylene]-
CAS No: 89482-96-2 Catalog No: AG0041MB MDL No:
Product Description
Catalog Number:
AG0041MB
Chemical Name:
Propanedinitrile, [(pentafluorophenyl)phenylmethylene]-
CAS Number:
89482-96-2
Molecular Formula:
C16H5F5N2
Molecular Weight:
320.2163
IUPAC Name:
2-[(2,3,4,5,6-pentafluorophenyl)-phenylmethylidene]propanedinitrile
InChI:
InChI=1S/C16H5F5N2/c17-12-11(13(18)15(20)16(21)14(12)19)10(9(6-22)7-23)8-4-2-1-3-5-8/h1-5H
InChI Key:
UXFMGYMLSKHMSP-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)C#N
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.037g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.222g/mol
Monoisotopic Mass:
320.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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