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1-(Cyclopentylsulfonyl)-4-nitrobenzene

HCID 12958320
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIKey
XFXHFPWJFGWDCT-UHFFFAOYSA-N
Molecular formula
C11H13NO4S
Average molar mass
255.29 g/mol
Monoisotopic mass
255.05652907

Names & identifiers

Preferred name
1-(Cyclopentylsulfonyl)-4-nitrobenzene
IUPAC
1-cyclopentylsulfonyl-4-nitrobenzene

Names & synonyms

SCHEMBL2345848SCHEMBL12280404XFXHFPWJFGWDCT-UHFFFAOYSA-N1-(Cyclopentylsulfonyl)-4-nitrobenzene

Database identifiers

PubChem CID
12958320

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
88.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
367

Related reactions

3 records
New reaction record
HRID 148197 reaction equation
HRID 148197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 230832 reaction equation
HRID 230832As productuspto-grants-2009_07
HRID 230833 reaction equation
HRID 230833As reactantuspto-grants-2009_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes