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4-(cyclopropylmethoxy)benzenesulfonyl Chloride

HCID 11368608
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(Cl)c1ccc(OCC2CC2)cc1
InChIKey
MAJCILSIBSJQPZ-UHFFFAOYSA-N
Molecular formula
C10H11ClO3S
Average molar mass
246.71 g/mol
Monoisotopic mass
246.0117431

Names & identifiers

Preferred name
4-(cyclopropylmethoxy)benzenesulfonyl Chloride
IUPAC
4-(cyclopropylmethoxy)benzenesulfonyl chloride

Names & synonyms

4-(cyclopropylmethoxy)benzenesulfonyl Chloride449211-72-74-(Cyclopropylmethoxy)benzene-1-sulfonyl chlorideSCHEMBL3548626MAJCILSIBSJQPZ-UHFFFAOYSA-N4-Cyclopropylmethoxy-benzenesulfonyl chlorideCS-0089123D748304-(Cyclopropylmethoxy)benzene-1-sulfonylchloride

Database identifiers

PubChem CID
11368608

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
297

Related reactions

14 records
New reaction record
HRID 823531 reaction equation
HRID 823531As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1232341 reaction equation
HRID 1232341As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1442671 reaction equation
HRID 1442671As productuspto-grants-2010_02
HRID 1442672 reaction equation
HRID 1442672As reactantuspto-grants-2010_02
HRID 1442675 reaction equation
HRID 1442675As reactantuspto-grants-2010_02
HRID 1442677 reaction equation
HRID 1442677As reactantuspto-grants-2010_02
HRID 1591689 reaction equation
HRID 1591689As productuspto-grants-2007_11
HRID 1591690 reaction equation
HRID 1591690As reactantuspto-grants-2007_11
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Compound notes

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