Basic information
- CAS
40640-36-6- Standard SMILES
O=[N+]([O-])c1ccccc1N=Nc1cnn(-c2ccccc2)c1-c1ccccc1- InChIKey
QHWCQGITNPCJND-UHFFFAOYSA-N- Molecular formula
- C21H15N5O2
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12257474
Names & identifiers
- Preferred name
- 1,5-Diphenyl-4-((2-nitrophenyl)azo)-1H-pyrazole
- IUPAC
- (1,5-diphenylpyrazol-4-yl)-(2-nitrophenyl)diazene
Names & synonyms
BRN 07092621,5-Diphenyl-4-((2-nitrophenyl)azo)-1H-pyrazole1H-Pyrazole, 1,5-diphenyl-4-((2-nitrophenyl)azo)-40640-36-6
Database identifiers
- CAS
40640-36-6- PubChem CID
- 218458
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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