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(Q82171458)
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English
5-cyano-2-fluorobenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
165.022606588
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₄FNO₂
0 references
canonical SMILES
C1=CC(=C(C=C1C#N)C(=O)O)F
0 references
Identifiers
InChI
InChI=1S/C8H4FNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
0 references
InChIKey
UQXVUTYCTZULCD-UHFFFAOYSA-N
0 references
CAS Registry Number
146328-87-2
0 references
PubChem CID
2778462
1 reference
matched by identifier from
InChIKey
InChIKey
UQXVUTYCTZULCD-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL284291
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQXVUTYCTZULCD-UHFFFAOYSA-N
UniChem compound ID
23661741
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00380950
1 reference
matched by identifier from
InChIKey
InChIKey
UQXVUTYCTZULCD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30331975
0 references
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