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72469-57-9 | 9H-Fluoren-9-one, 4,5-dinitro-
CAS No: 72469-57-9 Catalog No: AG005HFA MDL No:
Product Description
Catalog Number:
AG005HFA
Chemical Name:
9H-Fluoren-9-one, 4,5-dinitro-
CAS Number:
72469-57-9
Molecular Formula:
C13H6N2O5
Molecular Weight:
270.1971
IUPAC Name:
4,5-dinitrofluoren-9-one
InChI:
InChI=1S/C13H6N2O5/c16-13-7-3-1-5-9(14(17)18)11(7)12-8(13)4-2-6-10(12)15(19)20/h1-6H
InChI Key:
SHUYYWWBXCKUEI-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.2g/mol
Monoisotopic Mass:
270.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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