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(Q63392212)
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English
2-methylpropyl 4-chlorobenzoate
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
212.060407336
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₃ClO₂
0 references
canonical SMILES
CC(C)COC(=O)C1=CC=C(C=C1)Cl
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Identifiers
InChI
InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
0 references
InChIKey
BWLDEQAGSZRTIV-UHFFFAOYSA-N
0 references
CAS Registry Number
29234-88-6
0 references
PubChem CID
222376
1 reference
matched by identifier from
InChIKey
InChIKey
BWLDEQAGSZRTIV-UHFFFAOYSA-N
UniChem compound ID
26505615
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP000193
0 references
DSSTox substance ID
DTXSID40278584
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
BWLDEQAGSZRTIV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30229742
0 references
NSC number
8293
0 references
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