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115664-58-9 | 8-Fluoranthenol, 3-nitro-
CAS No: 115664-58-9 Catalog No: AG000GPW MDL No:
Product Description
Catalog Number:
AG000GPW
Chemical Name:
8-Fluoranthenol, 3-nitro-
CAS Number:
115664-58-9
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
3-nitrofluoranthen-8-ol
InChI:
InChI=1S/C16H9NO3/c18-9-4-5-10-12-6-7-15(17(19)20)13-3-1-2-11(16(12)13)14(10)8-9/h1-8,18H
InChI Key:
PBQVIBXOKDPEMG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1cccc3c1c2ccc3[N+](=O)[O-]
UNII:
R704EE0A6A
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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