Basic information
- CAS
23536-26-7- Standard SMILES
O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1- InChIKey
FGFXOLJQAAPECN-UHFFFAOYSA-N- Molecular formula
- C11H7N3O5
- Average molar mass
- 261.19 g/mol
- Monoisotopic mass
- 261.03857033
Overview
See other relationships...
Names & identifiers
- Preferred name
- 5-(4-Nitrobenzylidene)barbituric acid
- IUPAC
- 5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
- Molecular formula
- C11H7N3O5
- Molecular weight
- 261.19
Names & synonyms
23536-26-7NSC6366165-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trioneCHEMBL4044805-(4-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-nitrophenyl)methylene]-5-(4-Nitrobenzylidene)barbituric acidSCHEMBL30128239DTXSID30320460BDBM50375172NSC359863STK725171
Show more names
AKOS001484961NSC-359863NSC-636616ST0128045-[(4-nitrophenyl)methylene]hexahydropyrimidine-2,4,6-trione5-[(4-nitrophenyl)methylene]-1,3-dihydropyrimidine-2,4,6-trione5-(4-(Hydroxy(oxido)amino)benzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
23536-26-7- PubChem CID
- 338261
- DTXSID
DTXSID30320460- ChEMBL
CHEMBL404480- Nikkaji
- J2.710.033C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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