chempirical

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
logP
2.85Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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

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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 2,2′-Dinitrodibenzyl16968-19-758 % similar 1-Nitropyrene5522-43-056 % similar 1-Nitronaphthalene86-57-751 % similar 4-Nitro-1-naphthol605-62-947 % similar 2-Nitrobenzeneethanol15121-84-346 % similar 2-Nitrobenzyl alcohol612-25-946 % similar 1,8-Dinitronaphthalene602-38-046 % 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 4-(4-Pyridyl)benzoic acid4385-76-6 Dictamnine484-29-7 Indophenol500-85-6 2-Nitrobiphenyl86-00-0 4-Nitro-1,1′-biphenyl92-93-3

Elsewhere

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