4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid

HCID 22016253
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Basic information

Standard SMILES
CCCCOCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(F)c1F
InChIKey
FMFDITWRCLJRSB-UHFFFAOYSA-N
Molecular formula
C21H24F2O4
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid
IUPAC
4-[4-(4-butoxybutoxy)-2,3-difluorophenyl]benzoic acid

Names & synonyms

SCHEMBL6002017FMFDITWRCLJRSB-UHFFFAOYSA-N4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid

Database identifiers

PubChem CID
22016253

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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