chempirical

Dipentafluorophenylcarbonate

C13F10O3CAS 59483-84-0394.12 g/mol

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Aryl halideCarbonate

Properties

Molecular formula
C13F10O3
Molar mass
394.12 g/mol
Exact mass
393.9688 Da
logP
4.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59483-84-0
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChIKey
IOVVFSGCNWQFQT-UHFFFAOYSA-N
InChI
InChI=1S/C13F10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23

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Names and synonyms

1 names
  • Bis(pentafluorophenyl)carbonate

Work with Dipentafluorophenylcarbonate

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(pentafluorophenyl) oxalate16536-48-464 % similar Pentafluorophenyl acetate19220-93-056 % similar Pentafluorophenyl trifluoroacetate14533-84-752 % similar (2,3,4,5,6-Pentafluorophenyl) prop-2-enoate71195-85-250 % similar 9-Fluorenylmethyl pentafluorophenyl carbonate88744-04-146 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-940 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride55502-53-940 % similar Tetrafluorophthalic anhydride652-12-038 % similar

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

Elsewhere

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