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Compound
3-Azido-5-chloroaniline
HCID
22402764
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
[N-]=[N+]=Nc1cc(N)cc(Cl)c1
InChIKey
HGRALCFJEXYENT-UHFFFAOYSA-N
Molecular formula
C6H5ClN4
Average molar mass
168.58 g/mol
Names & identifiers
Preferred name
3-Azido-5-chloroaniline
IUPAC
3-azido-5-chloroaniline
Names & synonyms
3-azido-5-chloroaniline
HGRALCFJEXYENT-UHFFFAOYSA-N
Database identifiers
PubChem CID
22402764
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
40.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
177
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
260162
As product
uspto-grants-1996_06
HRID
260163
As reactant
uspto-grants-1996_06
HRID
1125026
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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