chempirical

P-Nitrophenyl laurate

C18H27NO4CAS 1956-11-2321.42 g/mol

Open in Covalent MOL file
OON+OO−
EsterNitro

Properties

Molecular formula
C18H27NO4
Molar mass
321.42 g/mol
Exact mass
321.1940 Da
Melting point
37.6 °C
logP
5.42Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
12

Identifiers

CAS number
1956-11-2
SMILES
CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
YNGNVZFHHJEZKD-UHFFFAOYSA-N
InChI
InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Dodecanoic acid, 4-nitrophenyl ester
  • Lauric acid, p-nitrophenyl ester
  • p-Nitrophenol laurate
  • p-Nitrophenyl dodecanoate
  • 4-Nitrophenyl dodecanoate
  • 4-Nitrophenyl laurate
  • Lauric acid 4-nitrophenyl ester

Work with P-Nitrophenyl laurate

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

P-Nitrophenyl palmitate1492-30-4100 % similar 4-Methylphenyl octanoate59558-23-563 % similar Phenyl stearate637-55-862 % similar 1-Butoxy-4-nitrobenzene7244-78-257 % similar β-Naphthyl laurate6343-73-354 % similar 2-Naphthyl myristate7262-80-854 % similar Bis(4-nitrophenyl) carbonate5070-13-352 % similar 4-Nitrophenyl acetate830-03-552 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook