Basic information
- CAS
15394-93-1- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc(Cl)c([N+](=O)[O-])cc1O- InChIKey
OCHUAUMRDIMADH-UHFFFAOYSA-N- Molecular formula
- C16H12ClN5O4
- Average molar mass
- 373.75 g/mol
- Monoisotopic mass
- 373.0577816
Names & identifiers
- Preferred name
- Einecs 239-414-3
- IUPAC
- 4-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- English name
- 4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
- Molecular formula
- C16H12ClN5O4
- Molecular weight
- 373.75058
Names & synonyms
EINECS 239-414-34-[(5-Chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one4-((5-Chloro-2-hydroxy-3-nitrophenyl)azo)-3-methyl-1-phenyl-2-pyrazolin-5-oneOJTGJINHHPXTJI-VHEBQXMUSA-N4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one3H-Pyrazol-3-one, 4-[2-(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-
Database identifiers
- CAS
15394-93-1- PubChem CID
- 84891
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 616
Chemistry & industry
Suppliers5 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…