Basic information
- CAS
329934-37-4- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2cc(Cl)ccc2Cl)c1- InChIKey
NRYGGDFYIUQXKM-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O3
- Average molar mass
- 311.12 g/mol
- Monoisotopic mass
- 309.9911975
Names & identifiers
- Preferred name
- 2-((2,5-Dichloro-phenylimino)-methyl)-4-nitro-phenol
- IUPAC
- 2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
- English name
- 2-((2,5-Dichloro-phenylimino)-methyl)-4-nitro-phenol
- Molecular formula
- C13H8Cl2N2O3
- Molecular weight
- 311.12
Names & synonyms
SCHEMBL16299048AKOS024275004ST0096292-((2,5-DICHLORO-PHENYLIMINO)-METHYL)-4-NITRO-PHENOL2-[(1E)-2-(2,5-dichlorophenyl)-2-azavinyl]-4-nitrophenolPhenol, 2-[[(2,5-dichlorophenyl)imino]methyl]-4-nitro-
Database identifiers
- CAS
329934-37-4- PubChem CID
- 690802
- EC Number
- 141-551-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 531.287 · 531.287±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.475 · 1.475±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.332 · 5.332±0.16(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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