Basic information
- CAS
5345-77-7- Standard SMILES
O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12- InChIKey
AXBQRFCKHZGXSI-UHFFFAOYSA-N- Molecular formula
- C16H13NO4S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.05652907
Names & identifiers
- Preferred name
- 4-Hydroxy-6-(phenylamino)naphthalene-1-sulfonic acid
- IUPAC
- 6-anilino-4-hydroxynaphthalene-1-sulfonic acid
Names & synonyms
5345-77-74-hydroxy-6-(phenylamino)naphthalene-1-sulfonic acid6-anilino-4-hydroxynaphthalene-1-sulfonic acidMLS0026375866-anilino-4-hydroxy-naphthalene-1-sulfonic acid6-ANILINO-4-HYDROXY-1-NAPHTHALENESULFONIC ACIDSMR001547116NSC1744HMS3091G05cid_219926CHEMBL1730974SCHEMBL16706092
Show more names
SCHEMBL30039986BDBM80747DTXSID90277340KUC112854NNSC-1744KSC-336-001-14-hydroxy-6-(phenylamino)naphthalene-1-sulfonicacid4-oxidanyl-6-phenylazanyl-naphthalene-1-sulfonic acid
Database identifiers
- CAS
5345-77-7- PubChem CID
- 219926
- DTXSID
DTXSID90277340- ChEMBL
CHEMBL1730974
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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