2-Chloro-5-nitrophenyl hydroxyethyl sulfone

HCID 13628643

Basic information

CAS
100983-92-4
Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)CCO)c1
InChIKey
NIBRDOKDTKLINO-UHFFFAOYSA-N
Molecular formula
C8H8ClNO5S
Average molar mass
265.67 g/mol
Monoisotopic mass
264.98117104

Names & identifiers

Preferred name
2-Chloro-5-nitrophenyl hydroxyethyl sulfone
IUPAC
2-(2-chloro-5-nitrophenyl)sulfonylethanol

Names & synonyms

2-chloro-5-nitrophenyl hydroxyethyl sulfone100983-92-4SCHEMBL9173769NIBRDOKDTKLINO-UHFFFAOYSA-NDTXSID3012637612-chloro-5-nitrophenyl hydroxyethyl sulphone2-[(2-Chloro-5-nitrophenyl)sulfonyl]ethanol2-(beta-hydroxyethylsulfonyl)-4-nitrochlorobenzene2-(2-Chloro-5-nitrobenzene-1-sulfonyl)ethan-1-ol

Database identifiers

CAS
100983-92-4
PubChem CID
13628643
DTXSID
DTXSID301263761

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16

Related reactions

12 records

Compound notes

Loading…