1-Azidomethyl-2-iodo-benzene

HCID 11615858

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 405198-82-5
Standard SMILES: [N-]=[N+]=NCc1ccccc1I
InChIKey: NAZLSCZYFOAARQ-UHFFFAOYSA-N
Molecular formula: C7H6IN3
Average molar mass: 259.05 g/mol
Monoisotopic mass: 258.96064519

Names & identifiers

Preferred name: 1-Azidomethyl-2-iodo-benzene
IUPAC: 1-(azidomethyl)-2-iodobenzene

Names & synonyms

405198-82-51-azidomethyl-2-iodo-benzeneDTXSID80469510RefChem:227716DTXCID804203281-(azidomethyl)-2-iodobenzeneBenzene, 1-(azidomethyl)-2-iodo-2-iodo benzyl azideSCHEMBL13886849NAZLSCZYFOAARQ-UHFFFAOYSA-NFRA19882EN300-171582

Database identifiers

CAS: 405198-82-5
PubChem CID: 11615858
DTXSID: DTXSID80469510
Nikkaji: J2.246.450G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 14.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Related reactions

4 records

New reaction record

HRID 292908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 815138As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1819420As productuspto-grants-2009_10

HRID 1819421As reactantuspto-grants-2009_10

Compound notes

Loading…