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4-Acetylamino-5-chloro-2-methoxy-benzoyl azide (HCID 20538742)|Huagongshe
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Compound
4-Acetylamino-5-chloro-2-methoxy-benzoyl azide
HCID
20538742
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1cc(NC(C)=O)c(Cl)cc1C(=O)N=[N+]=[N-]
InChIKey
FNIOHKVYTWOWKM-UHFFFAOYSA-N
Molecular formula
C10H9ClN4O3
Average molar mass
268.65 g/mol
Names & identifiers
Preferred name
4-Acetylamino-5-chloro-2-methoxy-benzoyl azide
IUPAC
4-acetamido-5-chloro-2-methoxybenzoyl azide
Names & synonyms
FNIOHKVYTWOWKM-UHFFFAOYSA-N
4-acetylamino-5-chloro-2-methoxy-benzoyl azide
Database identifiers
PubChem CID
20538742
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
69.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
383
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Related reactions
8 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
27716
As product
uspto-grants-1980_09
HRID
27717
As reactant
uspto-grants-1980_09
HRID
943727
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1065229
As product
uspto-grants-1982_05
HRID
1065230
As reactant
uspto-grants-1982_05
HRID
1065952
As product
uspto-grants-1982_05
HRID
1065953
As reactant
uspto-grants-1982_05
HRID
1560145
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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