2',7'-Dichlorodihydrofluorescein diacetate

C24H16Cl2O7CAS 4091-99-0487.29 g/mol

Open in Covalent MOL file
OOClOHOClOOO
Aryl halideCarboxylic acidEsterEther

Properties

Molecular formula
C24H16Cl2O7
Molar mass
487.29 g/mol
Exact mass
486.0273 Da
logP
5.83Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 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
4091-99-0
SMILES
CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2
InChIKey
PXEZTIWVRVSYOK-UHFFFAOYSA-N
InChI
InChI=1S/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30)

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Names and synonyms

8 names
  • 2′,7′-Dichlorodihydrofluorescein diacetate
  • Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-
  • Benzoic acid, o-(2,7-dichloro-3,6-dihydroxyxanthen-9-yl)-, diacetate
  • 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic acid
  • DCFH
  • H2DCFDA
  • DCFH-DA
  • 2-(3,6-Diacetoxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid

Work with 2',7'-Dichlorodihydrofluorescein diacetate

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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