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3-Chloro-5-methoxybenzylazide

HCID 57739802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Cl)cc(CN=[N+]=[N-])c1
InChIKey
CBLIUWFBTSJCMN-UHFFFAOYSA-N
Molecular formula
C8H8ClN3O
Average molar mass
197.62 g/mol

Names & identifiers

Preferred name
3-Chloro-5-methoxybenzylazide
IUPAC
1-(azidomethyl)-3-chloro-5-methoxybenzene

Names & synonyms

3-Chloro-5-methoxybenzylazideSCHEMBL13805786CBLIUWFBTSJCMN-UHFFFAOYSA-N

Database identifiers

PubChem CID
57739802

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
206

Related reactions

4 records
New reaction record
HRID 91819 reaction equation
HRID 91819As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 834016 reaction equation
HRID 834016As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1715860 reaction equation
HRID 1715860As productuspto-grants-2010_09
HRID 1715861 reaction equation
HRID 1715861As reactantuspto-grants-2010_09

Compound notes

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