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4-Chloro-5-(4-ethylphenoxy)pyrimidine (HCID 22380481)|Huagongshe
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Compound
4-Chloro-5-(4-ethylphenoxy)pyrimidine
HCID
22380481
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCc1ccc(Oc2cncnc2Cl)cc1
InChIKey
BWPNNVWLMKRYQJ-UHFFFAOYSA-N
Molecular formula
C12H11ClN2O
Average molar mass
234.68 g/mol
Names & identifiers
Preferred name
4-Chloro-5-(4-ethylphenoxy)pyrimidine
IUPAC
4-chloro-5-(4-ethylphenoxy)pyrimidine
Names & synonyms
SCHEMBL5202073
BWPNNVWLMKRYQJ-UHFFFAOYSA-N
4-chloro-5-(4-ethylphenoxy)pyrimidine
Database identifiers
PubChem CID
22380481
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
207
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Show all 8 / 8
Related reactions
7 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
290012
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
320525
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
662541
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
895392
As product
uspto-grants-2005_07
HRID
895393
As reactant
uspto-grants-2005_07
HRID
1370284
As product
uspto-grants-2003_06
HRID
1370285
As reactant
uspto-grants-2003_06
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Compound notes
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