CAS 3096-52-4 | 9H-Fluoren-9-one, 2-nitro- | CAS Number 3096-52-4

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3096-52-4 | 9H-Fluoren-9-one, 2-nitro-

CAS No: 3096-52-4 Catalog No: AG0031RI MDL No:MFCD00001152

Product Description

Catalog Number:

AG0031RI

Chemical Name:

9H-Fluoren-9-one, 2-nitro-

CAS Number:

3096-52-4

Molecular Formula:

C13H7NO3

Molecular Weight:

225.1996

MDL Number:

MFCD00001152

IUPAC Name:

2-nitrofluoren-9-one

InChI:

InChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H

InChI Key:

AJEAHBZZHSLIQP-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)C(=O)c1c2cccc1

NSC Number:

12365

Properties

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.203g/mol

Monoisotopic Mass:

225.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Oxidative transformation of 2-acetylaminofluorene by a chemical model for cytochrome P450: A water-insoluble porphyrin and tert-butyl hydroperoxide.	Bioorganic & medicinal chemistry 20080715
In-vitro mutagenic potential and effect on permeability of co-administered drugs across Caco-2 cell monolayers of Rubus idaeus and its fortified fractions.	The Journal of pharmacy and pharmacology 20061101
Properties and applications of the (2-nitrofluoren-9-yl)methoxycarbonyl group.	Journal of peptide science : an official publication of the European Peptide Society 20010301