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Compound
1-(But-3-enyloxy)-4-chloro-2-nitrobenzene
HCID
21075358
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Properties
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Compound notes
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Basic information
Standard SMILES
C=CCCOc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
RJKLCCWXBKHMQU-UHFFFAOYSA-N
Molecular formula
C10H10ClNO3
Average molar mass
227.64 g/mol
Names & identifiers
Preferred name
1-(But-3-enyloxy)-4-chloro-2-nitrobenzene
IUPAC
1-but-3-enoxy-4-chloro-2-nitrobenzene
Names & synonyms
SCHEMBL5642818
RJKLCCWXBKHMQU-UHFFFAOYSA-N
1-(but-3-enyloxy)-4-chloro-2-nitrobenzene
Database identifiers
PubChem CID
21075358
Properties
Computed structural properties
XLogP
3.9
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
229
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
107062
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1373764
As product
uspto-grants-2007_01
Compound notes
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