{3-Bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid

HCID 16123766
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Basic information

Standard SMILES
O=C(O)Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2F)c1
InChIKey
ABKOBKRDWRRVIE-UHFFFAOYSA-N
Molecular formula
C20H14BrFO5S
Average molar mass
465.3 g/mol
Monoisotopic mass
463.97294

Names & identifiers

Preferred name
{3-Bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid
IUPAC
2-[3-[4-(benzenesulfonyl)-2-fluorophenoxy]-5-bromophenyl]acetic acid

Names & synonyms

SCHEMBL2065645ABKOBKRDWRRVIE-UHFFFAOYSA-N{3-bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid

Database identifiers

PubChem CID
16123766

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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{3-Bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid (HCID 16123766)｜Huagongshe