chempirical

4-Nitrophenyl chloroformate

C7H4ClNO4CAS 7693-46-1201.56 g/mol

Open in Covalent MOL file
OClON+OO−
Acyl halideNitro

Properties

Molecular formula
C7H4ClNO4
Molar mass
201.56 g/mol
Exact mass
200.9829 Da
Melting point
81–82 °C
Boiling point
115–128 °C (at NaN Torr)
logP
2.33Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
7693-46-1
SMILES
O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
InChIKey
NXLNNXIXOYSCMB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H

Weigh it out

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

Names and synonyms

12 names
  • Carbonochloridic acid, 4-nitrophenyl ester
  • Formic acid, chloro-, p-nitrophenyl ester
  • p-Nitrophenyl chloroformate
  • (p-Nitrophenoxy)carbonyl chloride
  • Chloroformic acid p-nitrophenyl ester
  • p-Nitrophenyl chlorocarbonate
  • p-Nitrophenol chloroformate
  • (4-Nitrophenoxy)carbonyl chloride
  • Chloroformic acid 4-nitrophenyl ester
  • 4-Nitrophenyl carbonochloridate
  • 4-Nitrophenyl chlorocarbonate
  • Hypochlorous acid, 4-nitrophenyl ester

Work with 4-Nitrophenyl chloroformate

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

Bis(4-nitrophenyl) carbonate5070-13-367 % similar 4-Nitrophenyl acetate830-03-561 % similar 4-Nitrobenzyl chloroformate4457-32-361 % similar Trifluoroacetic acid p-nitrophenyl ester658-78-656 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 1,4-Dinitrobenzene100-25-452 % similar Phenyl chloroformate1885-14-952 % similar 4-Nitroanisole100-17-451 % similar

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

Same formula

5-Chloro-2-nitrobenzoic acid2516-95-2 2-Chloro-5-nitrobenzoic acid2516-96-3 2-Chloro-3-nitrobenzoic acid3970-35-2 3-Chloro-2-nitrobenzoic acid4771-47-5 2-Chloro-6-nitrobenzoic acid5344-49-0 4-Chloro-2-nitrobenzoic acid6280-88-2 4-Chloro-3-nitrobenzoic acid96-99-1 2-Chloro-4-nitrobenzoic acid99-60-5

Elsewhere

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