2-Nitrofluorene

C₁₃H₉NO₂CAS 607-57-8211.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉NO₂
Molar mass: 211.22 g/mol
Exact mass: 211.0633 Da
Melting point: 158 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 3.17Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H351 Suspected of causing cancer100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number

607-57-8

SMILES

O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2

InChIKey

XFOHWECQTFIEIX-UHFFFAOYSA-N

InChI

InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2

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Names and synonyms

4 names

9H-Fluorene, 2-nitro-
Fluorene, 2-nitro-
2-Nitro-9H-fluorene
NSC 5182

Reactions

2-NITROFLUORENE AND 2-AMINOFLUORENE (Fluorene, 2-nitro-, and 2-Fluorenylamine)product

Work with 2-Nitrofluorene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,7-Dinitrofluorene5405-53-883 % similar 2-Nitronaphthalene581-89-550 % similar 5-Nitro-2-indanone116530-60-048 % similar Fluorene86-73-747 % similar 5-Nitroindoline32692-19-646 % similar Fluorene-2-carboxaldehyde30084-90-346 % similar 2,7-Dinitro-9-fluorenone31551-45-846 % similar 2-Bromofluorene1133-80-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Phenoxyphenylisocyanate59377-20-7 2-(2-Hydroxyphenyl)benzoxazole835-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia