chempirical

2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate

C14H18N2O7CAS 973-21-7326.31 g/mol

Open in Covalent MOL file
N+OO−N+OO−OOO
CarbonateNitro

Properties

Molecular formula
C14H18N2O7
Molar mass
326.31 g/mol
Exact mass
326.1114 Da
Melting point
56–57 °C
logP
3.94Crippen estimate
Polar surface area
121.8 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6

Identifiers

CAS number
973-21-7
SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C
InChIKey
HDWLUGYOLUHEMN-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3

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

Names and synonyms

16 names · show all
  • Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
  • Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester
  • 2,4-Dinitro-6-sec-butylphenyl-isopropylcarbonate
  • Dinobuton
  • Isopropyl 2,4-dinitro-6-sec-butylphenyl carbonate
  • UC 19786
  • Union carbide 19786
  • Dessin
  • Kasebon
  • 2,4-Dinitro-6-sec-butylphenyl-O-isopropyl carbonate
  • Acrex
  • MC 1053
  • Drawinol
  • Isophen
  • Isophen (pesticide)
  • Akrex

Work with 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate

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

Binapacryl485-31-466 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-435 % similar 2,4,6-Trinitrobenzoic acid129-66-835 % similar 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-134 % similar 2-Methyl-3,5-dinitrobenzoic acid28169-46-233 % similar Bis(4-nitrophenyl) carbonate5070-13-333 % similar 1,3,6,8-Tetranitronaphthalene28995-89-333 % similar 2,4,6-Trinitroaniline489-98-532 % similar

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

Elsewhere

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