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(Q72463024)
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English
4,6-Difluoroindole-2-carboxylic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
197.02883484
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₅F₂NO₂
0 references
canonical SMILES
C1=C(C=C(C2=C1NC(=C2)C(=O)O)F)F
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Identifiers
InChI
InChI=1S/C9H5F2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
0 references
InChIKey
OCHGGXDZJGAUEU-UHFFFAOYSA-N
0 references
CAS Registry Number
247564-66-5
1 reference
InChIKey
OCHGGXDZJGAUEU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=247564-66-5
PubChem CID
3451441
1 reference
matched by identifier from
InChIKey
InChIKey
OCHGGXDZJGAUEU-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1144892
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OCHGGXDZJGAUEU-UHFFFAOYSA-N
UniChem compound ID
24721758
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70392601
1 reference
matched by identifier from
InChIKey
InChIKey
OCHGGXDZJGAUEU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80343462
0 references
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