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4-Chloro-7-phenyl-furano[2,3-d]pyridazine (HCID 85696504)|Huagongshe
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Compound
4-Chloro-7-phenyl-furano[2,3-d]pyridazine
HCID
85696504
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Clc1nnc(-c2ccccc2)c2occc12
InChIKey
DUXHPNFFOMIXCJ-UHFFFAOYSA-N
Molecular formula
C12H7ClN2O
Average molar mass
230.65 g/mol
Monoisotopic mass
230.0246905
Names & identifiers
Preferred name
4-Chloro-7-phenyl-furano[2,3-d]pyridazine
IUPAC
4-chloro-7-phenylfuro[2,3-d]pyridazine
Names & synonyms
SCHEMBL8552154
DUXHPNFFOMIXCJ-UHFFFAOYSA-N
4-chloro-7-phenyl-furano[2,3-d]pyridazine
Database identifiers
PubChem CID
85696504
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
38.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
245
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
143933
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
2211117
As product
uspto-grants-1995_10
HRID
2211118
As reactant
uspto-grants-1995_10
Compound notes
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