Basic information
- CAS
86491-51-2- Standard SMILES
Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1- InChIKey
WWMPJJGEDOGFQV-UHFFFAOYSA-N- Molecular formula
- C15H10Cl4N4O
- Average molar mass
- 404.1 g/mol
- Monoisotopic mass
- 401.960872
Names & identifiers
- Preferred name
- 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-aminoanilino)-5-pyrazolone
- IUPAC
- 5-(5-amino-2-chloroanilino)-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one
- English name
- 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-aminoanilino)-5-pyrazolone
- Molecular formula
- C15H10Cl4N4O
- Molecular weight
- 404.08
Names & synonyms
86491-51-21-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-aminoanilino)-5-pyrazolone3-(5-Amino-2-chloroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone5-(5-amino-2-chloroanilino)-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one3-((5-amino-2-chlorophenyl)amino)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-ol3-[(5-amino-2-chlorophenyl)amino]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-olOprea1_208751Oprea1_728997SCHEMBL10386122DTXSID60360339WWMPJJGEDOGFQV-UHFFFAOYSA-NCCG-2801
Show more names
1H-Pyrazol-5-ol, 3-[(5-amino-2-chlorophenyl)amino]-1-(2,4,6-trichlorophenyl)-
STK332216AKOS000746697AKOS015896123DB-021682DB-0569303-(5-AMINO-2-CHLOROANILINO)-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOL-5-OL5-(5-Amino-2-chloroanilino)-2-(2,4,6-trichlorophenyl)-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 575.2 · 575.2±50.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.50(Predicted)
Chemistry & industry
Suppliers7 total
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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