2-Cyanomethyl-5-fluoro-4-methoxy-benzoic acid

HCID 57799877
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CC#N)c(C(=O)O)cc1F
InChIKey
BLISLGUQDYEITB-UHFFFAOYSA-N
Molecular formula
C10H8FNO3
Average molar mass
209.17 g/mol

Names & identifiers

Preferred name
2-Cyanomethyl-5-fluoro-4-methoxy-benzoic acid
IUPAC
2-(cyanomethyl)-5-fluoro-4-methoxybenzoic acid

Names & synonyms

SCHEMBL3969076BLISLGUQDYEITB-UHFFFAOYSA-N2-Cyanomethyl-5-fluoro-4-methoxy-benzoic acid

Database identifiers

PubChem CID
57799877

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

Loading…

2-Cyanomethyl-5-fluoro-4-methoxy-benzoic acid (HCID 57799877)｜Huagongshe