chempirical

Pentaborane(9)

C14H14NO4PSCAS 19624-22-7323.30 g/mol

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OPSON+OO−
Nitro

Properties

Molecular formula
C14H14NO4PS
Molar mass
323.30 g/mol
Exact mass
323.0381 Da
Density
0.61 g/mL (at 0 °C)
Melting point
−46.6 °C
Boiling point
60 °C
logP
3.65Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
19624-22-7
SMILES
CCO[P@@](=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
XPIBKKWNZBDJNI-UHFFFAOYSA-N
InChI
InChI=1S/B5H9/c6-2-1-3(2,6)5(1,8-3)4(1,2,7-2)9-5/h1-5H

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

Names and synonyms

6 names
  • Boron hydride (B5H9)
  • Pentaborane
  • Pentaborane (B5H9)
  • Nonahydropentaborane
  • Borane (B5H9)
  • Ethyl p-nitrophenyl benzenethiophosphonate, (-)-

Work with Pentaborane(9)

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Parathion56-38-267 % similar Cyanofenphos13067-93-158 % similar Parathion methyl298-00-050 % similar Bis(P-nitrophenyl) phosphate645-15-844 % similar Sodium bis(4-nitrophenyl) phosphate4043-96-342 % similar Disodium P-nitrophenyl phosphate4264-83-942 % similar 1-Butoxy-4-nitrobenzene7244-78-242 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-342 % similar

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

Same formula

Epn (insecticide)2104-64-5

Elsewhere

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