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(Q82582892)
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English
2-Chloro-1-(1-ethyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
216.6219
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₉ClN₂O₃
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canonical SMILES
CCN1C=C(C=C1C(=O)CCl)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C8H9ClN2O3/c1-2-10-5-6(11(13)14)3-7(10)8(12)4-9/h3,5H,2,4H2,1H3
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InChIKey
UFWNLJZLQUDHRD-UHFFFAOYSA-N
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CAS Registry Number
53391-47-2
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PubChem CID
45081158
1 reference
matched by identifier from
InChIKey
InChIKey
UFWNLJZLQUDHRD-UHFFFAOYSA-N
UniChem compound ID
54455123
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80664402
1 reference
matched by identifier from
InChIKey
InChIKey
UFWNLJZLQUDHRD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80615151
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