1-(4-Bromophenyl)violuric acid [WHO-DD]
Basic information
- CAS
251468-56-1- Standard SMILES
O=Nc1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O- InChIKey
KLAOPOKEJSDMEV-UHFFFAOYSA-N- Molecular formula
- C10H6BrN3O4
- Average molar mass
- 312.08 g/mol
- Monoisotopic mass
- 310.95417
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)violuric acid [WHO-DD]
- IUPAC
- 1-(4-bromophenyl)-6-hydroxy-5-nitrosopyrimidine-2,4-dione
Names & synonyms
4Z3HJ62W9J1-(4-Bromophenyl)violuric acid [WHO-DD]UNII-4Z3HJ62W9J251468-56-11-(4-Bromophenyl)-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime2,4,5,6(1H,3H)-Pyrimidinetetrone, 1-(4-bromophenyl)-, 5-oximeNSC709453SCHEMBL12482069SCHEMBL16606196SCHEMBL20020502NSC-709453(5Z)-1-(4-bromophenyl)-5-hydroxyimino-hexahydropyrimidine-2,4,6-trione
Show more names
2,4,5,6(1H,3H)-Pyrimidinetetrone, 1-(4-bromophenyl)-, 5-oxime, (5Z)-
Database identifiers
- CAS
251468-56-1- PubChem CID
- 399042
- UNII
- 4Z3HJ62W9J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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