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(Q72509750)
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English
4-(1H-1,2,4-Triazol-1-yl)benzaldehyde
chemical compound
4-(1H-1,2,4-Triazol-1-yl)benzenecarbaldehyde
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
173.058911844
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₇N₃O
0 references
canonical SMILES
C1=CC(=CC=C1C=O)N2C=NC=N2
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Identifiers
InChI
InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H
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InChIKey
TVEJNWMWDIXPAX-UHFFFAOYSA-N
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CAS Registry Number
27996-86-7
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PubChem CID
2776488
1 reference
matched by identifier from
InChIKey
InChIKey
TVEJNWMWDIXPAX-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL951176
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TVEJNWMWDIXPAX-UHFFFAOYSA-N
UniChem compound ID
974783
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90380121
1 reference
matched by identifier from
InChIKey
InChIKey
TVEJNWMWDIXPAX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80331147
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