4-(4-Acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid

HCID 21497789
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Basic information

CAS
53136-43-9
Standard SMILES
CC(=O)Nc1ccc(Oc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)cc1
InChIKey
UTDYILDFCBUAAX-UHFFFAOYSA-N
Molecular formula
C15H13N3O8S
Average molar mass
395.3 g/mol
Monoisotopic mass
395.04233538

Names & identifiers

Preferred name
4-(4-Acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid
IUPAC
4-(4-acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid

Names & synonyms

4-(4-acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid53136-43-9DTXSID30614997RefChem:287823DTXCID70565752SCHEMBL11800292UTDYILDFCBUAAX-UHFFFAOYSA-N

Database identifiers

CAS
53136-43-9
PubChem CID
21497789
DTXSID
DTXSID30614997

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
190 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
27

Related reactions

8 records
New reaction record

Compound notes

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