2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl chlorosulphate

HCID 20026087
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Basic information

Standard SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(OS(=O)(=O)Cl)c(Cl)cc2F)c1=O
InChIKey
PCAIIUVOXAIGBD-UHFFFAOYSA-N
Molecular formula
C12H6Cl2F4N2O5S
Average molar mass
437.1 g/mol
Monoisotopic mass
435.9310605

Names & identifiers

Preferred name
2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl chlorosulphate
IUPAC
1-(4-chloro-5-chlorosulfonyloxy-2-fluorophenyl)-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidine

Names & synonyms

2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl chlorosulphateSCHEMBL10578374

Database identifiers

PubChem CID
20026087

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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