Nitro-4-sulfinylbenzoic acid

HCID 86744729
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Basic information

Standard SMILES
O=S=C1C=CC(C(=O)O)=C([N+](=O)[O-])C1
InChIKey
GJLFKIUQGYFHLL-UHFFFAOYSA-N
Molecular formula
C7H5NO5S
Average molar mass
215.19 g/mol

Names & identifiers

Preferred name
Nitro-4-sulfinylbenzoic acid
IUPAC
2-nitro-4-sulfinylcyclohexa-1,5-diene-1-carboxylic acid

Names & synonyms

nitro-4-sulfinylbenzoic acid2-nitro-4-sulfinylbenzoic acidSCHEMBL9515063GJLFKIUQGYFHLL-UHFFFAOYSA-N

Database identifiers

PubChem CID
86744729

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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