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(Q82142563)
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English
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
223.6129
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₆ClNO₃
0 references
canonical SMILES
C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Cl
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Identifiers
InChI
InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
0 references
InChIKey
CRTZVRLESCICCT-UHFFFAOYSA-N
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CAS Registry Number
33282-22-3
1 reference
InChIKey
CRTZVRLESCICCT-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=33282-22-3
PubChem CID
1133644
1 reference
matched by identifier from
InChIKey
InChIKey
CRTZVRLESCICCT-UHFFFAOYSA-N
UniChem compound ID
22966697
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00360696
1 reference
matched by identifier from
InChIKey
InChIKey
CRTZVRLESCICCT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80311747
0 references
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