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(Q82573659)
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English
5-(2-Bromo-4,5-difluorophenyl)-1-tert-butyl-4-iodo-1H-pyrazole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
439.9196649240001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₂BrF₂IN₂
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canonical SMILES
CC(C)(C)N1C(=C(C=N1)I)C2=CC(=C(C=C2Br)F)F
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Identifiers
InChI
InChI=1S/C13H12BrF2IN2/c1-13(2,3)19-12(11(17)6-18-19)7-4-9(15)10(16)5-8(7)14/h4-6H,1-3H3
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InChIKey
XVRPWYKJTPQBKF-UHFFFAOYSA-N
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CAS Registry Number
1206676-80-3
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PubChem CID
44228973
1 reference
matched by identifier from
InChIKey
InChIKey
XVRPWYKJTPQBKF-UHFFFAOYSA-N
UniChem compound ID
1399693
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50657962
1 reference
matched by identifier from
InChIKey
InChIKey
XVRPWYKJTPQBKF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90608711
0 references
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