Einecs 224-767-8
Basic information
- CAS
4484-20-2- Standard SMILES
Nc1ccccc1.O=S(=O)(O)c1ccccc1- InChIKey
NGYOVXUBIWJNIU-UHFFFAOYSA-N- Molecular formula
- C12H13NO3S
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.06161445
Names & identifiers
- Preferred name
- Einecs 224-767-8
- IUPAC
- aniline;benzenesulfonic acid
Names & synonyms
EINECS 224-767-8Benzenesulphonic acid, compound with aniline (1:1)4484-20-2SCHEMBL1365012DTXSID20196318Benzenesulfonic acid--aniline (1/1)NS00081659
Database identifiers
- CAS
4484-20-2- PubChem CID
- 6452008
- DTXSID
DTXSID20196318- EC Number
- 224-767-8
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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