1-(Azidomethyl)-3-bromo-2-methoxybenzene

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Basic information

Standard SMILES: COc1c(Br)cccc1CN=[N+]=[N-]
InChIKey: CDWURIFJGWPXDG-UHFFFAOYSA-N
Molecular formula: C8H8BrN3O
Average molar mass: 242.07 g/mol

Names & identifiers

Preferred name: 1-(Azidomethyl)-3-bromo-2-methoxybenzene
IUPAC: 1-(azidomethyl)-3-bromo-2-methoxybenzene

Names & synonyms

1-(azidomethyl)-3-bromo-2-methoxybenzene1044256-82-7SCHEMBL13568961CDWURIFJGWPXDG-UHFFFAOYSA-N1-azidomethyl-3-bromo-2-methoxy-benzeneEN300-1936597

Database identifiers

PubChem CID: 59778681

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 206

Related reactions

9 records

New reaction record

HRID 561251As productuspto-grants-2011_11

HRID 561252As reactantuspto-grants-2011_11

HRID 574736As productuspto-grants-2015_05

HRID 574737As reactantuspto-grants-2015_05

HRID 655998As productuspto-grants-2011_12

HRID 655999As reactantuspto-grants-2011_12

HRID 672595As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2151539As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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