chempirical

Trinitro-M-cresol

C7H5N3O7CAS 602-99-3243.13 g/mol

Open in Covalent MOL file
N+OO−N+OO−HON+OO−
NitroPhenol

Properties

Molecular formula
C7H5N3O7
Molar mass
243.13 g/mol
Exact mass
243.0127 Da
Melting point
109.5 °C
logP
1.43Crippen estimate
Polar surface area
149.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3

Identifiers

CAS number
602-99-3
SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]
InChIKey
YYGJRRYSYLLCQH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3

Weigh it out

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

Names and synonyms

12 names
  • Phenol, 3-methyl-2,4,6-trinitro-
  • m-Cresol, 2,4,6-trinitro-
  • 3-Methyl-2,4,6-trinitrophenol
  • 3-Methylpicric acid
  • Methylpicric acid
  • 2,4,6-Trinitro-3-methylphenol
  • 2,4,6-Trinitro-m-cresol
  • Trinitro-m-cresolic acid
  • TNCr
  • 1-Hydroxy-3-methyl-2,4,6-trinitrobenzene
  • NSC 3182
  • 1-Methyl-3-hydroxy-2,4,6-trinitrobenzene

Work with Trinitro-M-cresol

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

Styphnic acid82-71-373 % similar 2,6-Dinitro-P-cresol609-93-859 % similar Tnt118-96-753 % similar Picric acid88-89-153 % similar 2,4-Dinitroresorcinol519-44-853 % similar 2,4-Dimethyl-6-nitrophenol14452-34-753 % similar 2-Methyl-4,6-dinitrophenol534-52-153 % similar 4-Amino-2,6-dinitrotoluene19406-51-050 % similar

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

Same formula

Trinitroanisole606-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook