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(Q82527855)
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English
Methyl 3-(1H-1,2,4-triazol-1-yl)benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
203.069476528
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₉N₃O₂
0 references
canonical SMILES
COC(=O)C1=CC(=CC=C1)N2C=NC=N2
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Identifiers
InChI
InChI=1S/C10H9N3O2/c1-15-10(14)8-3-2-4-9(5-8)13-7-11-6-12-13/h2-7H,1H3
0 references
InChIKey
NKGYSGGAEUCELQ-UHFFFAOYSA-N
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CAS Registry Number
167626-27-9
1 reference
InChIKey
NKGYSGGAEUCELQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=167626-27-9
PubChem CID
22224836
1 reference
matched by identifier from
InChIKey
InChIKey
NKGYSGGAEUCELQ-UHFFFAOYSA-N
UniChem compound ID
3300790
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30623584
1 reference
matched by identifier from
InChIKey
InChIKey
NKGYSGGAEUCELQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60574338
0 references
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