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(Q82597301)
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Benzyl 4-(4-bromophenyl)piperazine-1-carboxylate
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
374.06298994800005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₉BrN₂O₂
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canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C18H19BrN2O2/c19-16-6-8-17(9-7-16)20-10-12-21(13-11-20)18(22)23-14-15-4-2-1-3-5-15/h1-9H,10-14H2
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InChIKey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
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CAS Registry Number
1150271-33-2
1 reference
InChIKey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1150271-33-2
PubChem CID
46739494
1 reference
matched by identifier from
InChIKey
InChIKey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
UniChem compound ID
22945430
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20675097
1 reference
matched by identifier from
InChIKey
InChIKey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30625846
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