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6-chloro-3-oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride

HCID 22119034
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
64220-32-2
Standard SMILES
O=C1CCc2cc(Cl)c(S(=O)(=O)Cl)cc21
InChIKey
TUURWJRLUXOCDV-UHFFFAOYSA-N
Molecular formula
C9H6Cl2O3S
Average molar mass
265.11 g/mol

Names & identifiers

Preferred name
6-chloro-3-oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride
IUPAC
6-chloro-3-oxo-1,2-dihydroindene-5-sulfonyl chloride

Names & synonyms

6-chloro-3-oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride64220-32-26-chloro-3-oxo-1,2-dihydroindene-5-sulfonyl chlorideSCHEMBL6206319TUURWJRLUXOCDV-UHFFFAOYSA-NPCA220325-chloro-6-chlorosulfonyl-1-indanoneAKOS026726251EN300-1277576-chloro-3-oxo-2,3-dihydro-1H-indene-5-sulfonylchloride

Database identifiers

CAS
64220-32-2
PubChem CID
22119034
EC Number
876-529-3

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
59.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
373

Related reactions

6 records
New reaction record
HRID 65932 reaction equation
HRID 65932As reactantuspto-grants-1978_12
HRID 65934 reaction equation
HRID 65934As reactantuspto-grants-1978_12
HRID 65936 reaction equation
HRID 65936As reactantuspto-grants-1978_12
HRID 943772 reaction equation
HRID 943772As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 960493 reaction equation
HRID 960493As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1121833 reaction equation
HRID 1121833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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