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(Q82229780)
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NSC108819
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
309.82987456800004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₇H₄Br₂O₂S
0 references
canonical SMILES
O=C(O)/C=C/c1cc(Br)sc1Br
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=C(SC(=C1/C=C/C(=O)O)Br)Br
0 references
Identifiers
InChI
InChI=1S/C7H4Br2O2S/c8-5-3-4(7(9)12-5)1-2-6(10)11/h1-3H,(H,10,11)/b2-1+
0 references
InChIKey
DVXZZONDJLGLIN-OWOJBTEDSA-N
0 references
CAS Registry Number
1199-42-4
0 references
PubChem CID
5381012
1 reference
matched by identifier from
InChIKey
InChIKey
DVXZZONDJLGLIN-OWOJBTEDSA-N
UniChem compound ID
63194158
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30419005
1 reference
matched by identifier from
InChIKey
InChIKey
DVXZZONDJLGLIN-OWOJBTEDSA-N
DSSTOX compound identifier
DTXCID10369852
0 references
NSC number
108819
0 references
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