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Home > Fluorides > 116333-44-9
116333-44-9 | 9(10H)-Acridinone, 1-fluoro-7-nitro-
CAS No: 116333-44-9 Catalog No: AG000C81 MDL No:
Product Description
Catalog Number:
AG000C81
Chemical Name:
9(10H)-Acridinone, 1-fluoro-7-nitro-
CAS Number:
116333-44-9
Molecular Formula:
C13H7FN2O3
Molecular Weight:
258.2047
IUPAC Name:
1-fluoro-7-nitro-10H-acridin-9-one
InChI:
InChI=1S/C13H7FN2O3/c14-9-2-1-3-11-12(9)13(17)8-6-7(16(18)19)4-5-10(8)15-11/h1-6H,(H,15,17)
InChI Key:
WEAOPYYSESMXPM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)c1c([nH]2)cccc1F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.208g/mol
Monoisotopic Mass:
258.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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