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91599-02-9 | Propanedinitrile, (4-cyano-2,7-dinitro-9H-fluoren-9-ylidene)-
CAS No: 91599-02-9 Catalog No: AG006FVR MDL No:
Product Description
Catalog Number:
AG006FVR
Chemical Name:
Propanedinitrile, (4-cyano-2,7-dinitro-9H-fluoren-9-ylidene)-
CAS Number:
91599-02-9
Molecular Formula:
C17H5N5O4
Molecular Weight:
343.2527
IUPAC Name:
2-(4-cyano-2,7-dinitrofluoren-9-ylidene)propanedinitrile
InChI:
InChI=1S/C17H5N5O4/c18-6-9-3-12(22(25)26)5-15-16(9)13-2-1-11(21(23)24)4-14(13)17(15)10(7-19)8-20/h1-5H
InChI Key:
TWYKMXMQKACSPK-UHFFFAOYSA-N
SMILES:
N#CC(=C1c2cc(cc(c2c2c1cc(cc2)[N+](=O)[O-])C#N)[N+](=O)[O-])C#N
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.034g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.258g/mol
Monoisotopic Mass:
343.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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