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(Q82987172)
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English
3-Bromo-4-(propan-2-yl)benzoic 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
CC(C)C1=C(C=C(C=C1)C(=O)O)Br
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Identifiers
InChI
InChI=1S/C10H11BrO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)
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InChIKey
VLOPEDMMJXCNSH-UHFFFAOYSA-N
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CAS Registry Number
741698-94-2
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PubChem CID
18925780
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UniChem compound ID
24425808
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80995642
1 reference
matched by identifier from
InChIKey
InChIKey
VLOPEDMMJXCNSH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101422666
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