chempirical

Benzyl 4-nitrophenyl carbonate

C14H11NO5CAS 13795-24-9273.24 g/mol

Open in Covalent MOL file
OOON+OO−
CarbonateNitro

Properties

Molecular formula
C14H11NO5
Molar mass
273.24 g/mol
Exact mass
273.0637 Da
Melting point
78–79 °C
logP
3.31Crippen estimate
Polar surface area
78.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
13795-24-9
SMILES
O=C(OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1
InChIKey
QIXRWIVDBZJDGD-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2

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Names and synonyms

6 names
  • Carbonic acid, 4-nitrophenyl phenylmethyl ester
  • Carbonic acid, benzyl p-nitrophenyl ester
  • Benzyl p-nitrophenyl carbonate
  • 4-Nitrophenyl benzyl carbonate
  • p-Nitrophenyl benzyl carbonate
  • NSC 171047

Work with Benzyl 4-nitrophenyl 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

Phenyl phenylmethyl carbonate28170-07-266 % similar Bis(4-nitrophenyl) carbonate5070-13-366 % similar N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester1738-86-962 % similar 4-Nitrophenyl 5-thiazolylmethyl carbonate144163-97-360 % similar 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate80149-80-058 % similar N-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-957 % similar 2-(4-Nitrophenyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate3304-59-456 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 4-nitrophenyl ester1738-87-053 % similar

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

Same formula

Tolcapone134308-13-7

Elsewhere

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