Basic information
- CAS
6470-53-7- Standard SMILES
Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)O- InChIKey
PLLCVXOUKOLTLC-UHFFFAOYSA-N- Molecular formula
- C13H11N3O6S
- Average molar mass
- 337.31 g/mol
- Monoisotopic mass
- 337.03685625
Names & identifiers
- Preferred name
- 2-Amino-5-(p-nitrobenzamido)benzenesulphonic acid
- IUPAC
- 2-amino-5-[(4-nitrobenzoyl)amino]benzenesulfonic acid
- English name
- 2-amino-5-(p-nitrobenzamido)benzenesulphonic acid
- Molecular formula
- C13H11N3O6S
- Molecular weight
- 337.31
Names & synonyms
2-Amino-5-(p-nitrobenzamido)benzenesulphonic acid6470-53-72-amino-5-[(4-nitrobenzoyl)amino]benzenesulfonic acidEINECS 229-299-82-amino-5-(4-nitrobenzamido)benzene-1-sulfonic acidSCHEMBL11736141DTXSID00215031PLLCVXOUKOLTLC-UHFFFAOYSA-NNS000357382-amino-5-(4-nitrobenzamido)benzenesulfonic acid2-Amino-5-(4-nitrobenzoylamino)benzenesulfonic acidBenzenesulfonic acid, 2-amino-5-[(4-nitrobenzoyl)amino]-
Database identifiers
- CAS
6470-53-7- PubChem CID
- 5483441
- DTXSID
DTXSID00215031- EC Number
- 229-299-8
- Nikkaji
- J225.138H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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