Basic information
- CAS
172914-29-3- Standard SMILES
O=[N+]([O-])c1sc2ccccc2c1Nc1cccc(O)c1- InChIKey
MQHRKAQROUHOBB-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3S
- Average molar mass
- 286.31 g/mol
- Monoisotopic mass
- 286.04121336
Names & identifiers
- Preferred name
- Phenol, 3-((2-nitrobenzo(b)thien-3-yl)amino)-
- IUPAC
- 3-[(2-nitro-1-benzothiophen-3-yl)amino]phenol
Names & synonyms
Phenol, 3-((2-nitrobenzo(b)thien-3-yl)amino)-172914-29-3DTXSID50169434RefChem:369092DTXCID10919253-[(2-nitro-1-benzothiophen-3-yl)amino]phenolDT732RUQ4X3-((2-Nitrobenzo(b)thien-3-yl)amino)phenol3-[(2-Nitrobenzo[b]thien-3-yl)amino]phenolUNII-DT732RUQ4XNITROBENZO(B)THIEN-3-YL)AMINO)PHENOL, 3-((2-
Database identifiers
- CAS
172914-29-3- PubChem CID
- 154016
- DTXSID
DTXSID50169434- UNII
- DT732RUQ4X
- Nikkaji
- J693.638E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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