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(Q82420221)
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English
3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid
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
304.95349907599996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₈BrNO₆
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canonical SMILES
COC1=C(C(=C(C=C1[N+](=O)[O-])Br)OC)C(=O)O
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Identifiers
InChI
InChI=1S/C9H8BrNO6/c1-16-7-4(10)3-5(11(14)15)8(17-2)6(7)9(12)13/h3H,1-2H3,(H,12,13)
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InChIKey
DUCPBSHBWDJWBH-UHFFFAOYSA-N
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CAS Registry Number
98527-25-4
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PubChem CID
13544752
1 reference
matched by identifier from
InChIKey
InChIKey
DUCPBSHBWDJWBH-UHFFFAOYSA-N
UniChem compound ID
51500497
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30543374
1 reference
matched by identifier from
InChIKey
InChIKey
DUCPBSHBWDJWBH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70494159
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