3,4-Difluoro-2-(4-iodo-2-methyl-phenylamino)-benzoic acid pentafluorophenyl ester

HCID 23398484
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(I)ccc1Nc1c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc(F)c1F
InChIKey
BKXQIJAIDZXMFJ-UHFFFAOYSA-N
Molecular formula
C20H9F7INO2
Average molar mass
555.2 g/mol

Names & identifiers

Preferred name
3,4-Difluoro-2-(4-iodo-2-methyl-phenylamino)-benzoic acid pentafluorophenyl ester
IUPAC
(2,3,4,5,6-pentafluorophenyl) 3,4-difluoro-2-(4-iodo-2-methylanilino)benzoate

Names & synonyms

SCHEMBL4861481BKXQIJAIDZXMFJ-UHFFFAOYSA-N3,4-Difluoro-2-(4-iodo-2-methyl-phenylamino)-benzoic acid pentafluorophenyl ester

Database identifiers

PubChem CID
23398484

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
31

Related reactions

6 records
New reaction record

Compound notes

Loading…