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2-Nitrofluorenone - >98.0%(HPLC), high purity , CAS No.3096-52-4
Basic Description
Synonyms
MFCD00001152 | BRN 2052959 | J-018205 | 2-Nitrofluorenon | CCRIS 2540 | 9-Fluorenone, 2-nitro | DTXSID70184942 | 2-Nitro-9H-fluoren-9-one # | SCHEMBL229511 | 2-Nitro-9-fluorenone | 2-Nitro-9H-fluoren-9-one | NSC 12365 | InChI=1/C13H7NO3/c15-13-11-4-2-1-3-
Specifications & Purity
≥98%(HPLC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Fluorenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Fluorenes
Alternative Parents
Nitroaromatic compounds Aryl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Fluorene - Nitroaromatic compound - Aryl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504752883
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752883
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
InChIKey
AJEAHBZZHSLIQP-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
WGK Germany
3
RTECS
LL9091000
Molecular Weight
225.2
Beilstein
7(3)2344
Reaxy-Rn
2052959
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052959&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
222 °C
Molecular Weight
225.200 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
225.043 Da
Monoisotopic Mass
225.043 Da
Topological Polar Surface Area
62.900 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
349.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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