5-Nitroacenaphthene

C12H9NO2CAS 602-87-9199.21 g/mol

Open in Covalent MOL file
ON+O−
Nitro

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Melting point
102–103 °C
Water solubility
910 µg/L (25 °C)
logP
2.85Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 609-037-00-2), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
602-87-9
SMILES
O=[N+]([O-])c1ccc2c3c(cccc13)CC2
InChIKey
CUARLQDWYSRQDF-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Acenaphthylene, 1,2-dihydro-5-nitro-
  • Acenaphthene, 5-nitro-
  • 1,2-Dihydro-5-nitroacenaphthylene
  • NSC 1312
  • NSC 22421

Work with 5-Nitroacenaphthene

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

1,5-Dinitronaphthalene605-71-058 % similar 1,4-Dinitronaphthalene6921-26-258 % similar 2,2′-Dinitrodibenzyl16968-19-758 % similar 1-Nitropyrene5522-43-056 % similar 1-Nitronaphthalene86-57-751 % similar 1-Bromo-5-nitronaphthalene5328-76-749 % similar 4-Nitro-1-naphthol605-62-947 % similar 1-Amino-4-nitronaphthalene776-34-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 6-Phenylpyridine-2-carboxylic acid39774-28-2 4-(2-Pyridyl)benzoic acid4385-62-0 4-Pyridin-3-yl-benzoic acid4385-75-5 4-(Pyridin-4-yl)benzoic acid4385-76-6 3-(Pyridin-3-yl)benzoic acid4385-77-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook