2-Benzyloxymethyl-cyclopropanesulfonyl chloride

HCID 86656331

Notes Reactions

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Basic information

Standard SMILES: O=S(=O)(Cl)C1CC1COCc1ccccc1
InChIKey: MERUPZITOIXJPW-UHFFFAOYSA-N
Molecular formula: C11H13ClO3S
Average molar mass: 260.74 g/mol

Names & identifiers

Preferred name: 2-Benzyloxymethyl-cyclopropanesulfonyl chloride
IUPAC: 2-(phenylmethoxymethyl)cyclopropane-1-sulfonyl chloride

Names & synonyms

1303510-65-72-((Benzyloxy)methyl)cyclopropane-1-sulfonyl chlorideSCHEMBL1869121MERUPZITOIXJPW-UHFFFAOYSA-N2-benzyloxymethyl-cyclopropanesulfonyl chloride

Database identifiers

PubChem CID: 86656331

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 317

Related reactions

6 records

New reaction record

HRID 802084As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1218656As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1259388As reactantuspto-grants-2013_06

HRID 1259423As reactantuspto-grants-2013_06

HRID 1914896As reactantuspto-grants-2013_12

HRID 2345916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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