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(Q82007952)
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English
3-bromo-2,4,6-trimethylbenzoic 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
241.994241692
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₁BrO₂
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canonical SMILES
CC1=CC(=C(C(=C1C(=O)O)C)Br)C
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Identifiers
InChI
InChI=1S/C10H11BrO2/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3,(H,12,13)
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InChIKey
VUVHCRZIUORPEG-UHFFFAOYSA-N
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CAS Registry Number
5333-13-1
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PubChem CID
219380
1 reference
matched by identifier from
InChIKey
InChIKey
VUVHCRZIUORPEG-UHFFFAOYSA-N
UniChem compound ID
67572627
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50277063
1 reference
matched by identifier from
InChIKey
InChIKey
VUVHCRZIUORPEG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60228223
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NSC number
601
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