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25945-85-1 | 9H-Fluorene, 9-(dinitromethylene)-
CAS No: 25945-85-1 Catalog No: AG002R51 MDL No:
Product Description
Catalog Number:
AG002R51
Chemical Name:
9H-Fluorene, 9-(dinitromethylene)-
CAS Number:
25945-85-1
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
9-(dinitromethylidene)fluorene
InChI:
InChI=1S/C14H8N2O4/c17-15(18)14(16(19)20)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChI Key:
LXCXLWVHPCFEEP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=C1c2ccccc2c2c1cccc2)[N+](=O)[O-]
NSC Number:
628813
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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