HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Agn-PC-00cfck

HCID 11601024
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5134-88-3
Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey
HHGDLPTYJQQMKT-UHFFFAOYSA-M
Molecular formula
C6H4NNaO5S
Average molar mass
225.16 g/mol
Monoisotopic mass
224.97078768

Names & identifiers

Preferred name
Agn-PC-00cfck
IUPAC
sodium 4-nitrobenzenesulfonate
English name
Benzenesulfonic acid, 4-nitro-, sodium salt
Molecular formula
C6H5NO5S.Na
Molecular weight
225.15443

Names & synonyms

5134-88-3AGN-PC-00CFCKDTXSID40469258RefChem:317543DTXCID50420077Sodium 4-nitrobenzenesulfonateSodium4-nitrobenzenesulfonateSCHEMBL2847701sodium para-nitrobenzenesulfonateHHGDLPTYJQQMKT-UHFFFAOYSA-MSodium 4-nitrobenzene-1-sulfonateAKOS024339560
Show more names
4-NITROBENZENESULFONIC ACID, SODIUM SALTBenzenesulfonic acid, 4-nitro-, sodium salt
p-nitrobenzene sulfonic acid sodium salt

Database identifiers

CAS
5134-88-3
PubChem CID
11601024
DTXSID
DTXSID40469258

Properties

Computed structural properties

Topological polar surface area
111 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
266

Chemistry & industry

Upstream & downstream products

Downstream products

Methyl 4-nitrobenzenesulfonate

Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes