Basic information
- CAS
585560-50-5- Standard SMILES
COc1cc(C=NNC(=O)c2sc3cc(Cl)ccc3c2Cl)c(O)c([N+](=O)[O-])c1- InChIKey
YJCKHGVBOMQOFA-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2N3O5S
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- 3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
- IUPAC
- 3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, [(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazide (9CI)
- Molecular formula
- C17H11Cl2N3O5S
- Molecular weight
- 440.26
Names & synonyms
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, 2-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazideBenzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, [(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazide (9CI)
Database identifiers
- CAS
585560-50-5
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 622
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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