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English
Methyl 2-amino-5-bromo-3-iodobenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
354.87048856399997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₇BrINO₂
0 references
canonical SMILES
COC(=O)C1=C(C(=CC(=C1)Br)I)N
0 references
Identifiers
InChI
InChI=1S/C8H7BrINO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
0 references
InChIKey
NYKVKANRUGAWAL-UHFFFAOYSA-N
0 references
CAS Registry Number
289039-83-4
1 reference
InChIKey
NYKVKANRUGAWAL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=289039-83-4
PubChem CID
53435544
1 reference
matched by identifier from
InChIKey
InChIKey
NYKVKANRUGAWAL-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL758705
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NYKVKANRUGAWAL-UHFFFAOYSA-N
UniChem compound ID
43294986
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20700752
1 reference
matched by identifier from
InChIKey
InChIKey
NYKVKANRUGAWAL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90651500
0 references
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