3-(4-Bromophenyl)propyl methanesulphonate

HCID 19688466

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)OCCCc1ccc(Br)cc1
InChIKey: BGKIHAFPNMDREB-UHFFFAOYSA-N
Molecular formula: C10H13BrO3S
Average molar mass: 293.18 g/mol

Names & identifiers

Preferred name: 3-(4-Bromophenyl)propyl methanesulphonate
IUPAC: 3-(4-bromophenyl)propyl methanesulfonate

Names & synonyms

3-(4-Bromophenyl)propyl methanesulphonate165803-63-43-(4-bromophenyl)propyl methanesulfonateSCHEMBL408714BGKIHAFPNMDREB-UHFFFAOYSA-NDB-330711

Database identifiers

PubChem CID: 19688466

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 263

Related reactions

11 records

New reaction record

HRID 111988As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 156072As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 217775As productuspto-grants-2012_06

HRID 217776As reactantuspto-grants-2012_06

HRID 217784As productuspto-grants-2012_06

HRID 217785As reactantuspto-grants-2012_06

HRID 1135919As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2157726As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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