chempirical

Trinitroanisole

C7H5N3O7CAS 606-35-9243.13 g/mol

Open in Covalent MOL file
ON+OO−N+OO−N+OO−
EtherNitro

Properties

Molecular formula
C7H5N3O7
Molar mass
243.13 g/mol
Exact mass
243.0127 Da
Density
1.61 g/mL
Melting point
69 °C
logP
1.42Crippen estimate
Polar surface area
138.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4

Identifiers

CAS number
606-35-9
SMILES
COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
FMXDVBRYDYFVGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 2-methoxy-1,3,5-trinitro-
  • Anisole, 2,4,6-trinitro-
  • 2-Methoxy-1,3,5-trinitrobenzene
  • 2,4,6-Trinitroanisole
  • Methyl picrate
  • 1-Methoxy-2,4,6-trinitrobenzene
  • NSC 36950
  • Trinitroanisol
  • TNA

Work with Trinitroanisole

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

1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-764 % similar 2,4-Dinitroanisole119-27-762 % similar 1-Methoxy-3,5-dinitrobenzene5327-44-661 % similar Tnt118-96-758 % similar 1,3,6,8-Tetranitronaphthalene28995-89-355 % similar Hexanitrodiphenylamine131-73-753 % similar 2,4,6-Trinitroaniline489-98-553 % similar Picryl chloride88-88-053 % similar

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

Same formula

Trinitro-M-cresol602-99-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia