5-(3-(Bromomethyl)-4-methoxyphenyl)-2-methyl-2H-tetrazole

HCID 58993604

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(-c2nnn(C)n2)cc1CBr
InChIKey: HJOYNYWQBDWPFL-UHFFFAOYSA-N
Molecular formula: C10H11BrN4O
Average molar mass: 283.12 g/mol
Monoisotopic mass: 282.01162

Names & identifiers

Preferred name: 5-(3-(Bromomethyl)-4-methoxyphenyl)-2-methyl-2H-tetrazole
IUPAC: 5-[3-(bromomethyl)-4-methoxyphenyl]-2-methyltetrazole

Names & synonyms

SCHEMBL3595986HJOYNYWQBDWPFL-UHFFFAOYSA-N5-(3-(Bromomethyl)-4-methoxyphenyl)-2-methyl-2H-tetrazole

Database identifiers

PubChem CID: 58993604

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 52.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 231

Related reactions

8 records

New reaction record

HRID 318046As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 391389As productuspto-grants-2013_02

HRID 391390As reactantuspto-grants-2013_02

HRID 391397As productuspto-grants-2013_02

HRID 391398As reactantuspto-grants-2013_02

HRID 391405As productuspto-grants-2013_02

HRID 391406As reactantuspto-grants-2013_02

HRID 2137064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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