6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
Basic information
- CAS
18469-49-3- Standard SMILES
Nc1ccc(Cc2[nH]c(=O)[nH]c(=O)c2Br)cc1[N+](=O)[O-]- InChIKey
SCJKHMNRYXUSLQ-UHFFFAOYSA-N- Molecular formula
- C11H9BrN4O4
- Average molar mass
- 341.12 g/mol
- Monoisotopic mass
- 339.98072
Names & identifiers
- Preferred name
- 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21041618469-49-3DTXSID40308936NSC-2104166-[(4-Amino-3-nitrophenyl)methyl]-5-bromopyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
18469-49-3- PubChem CID
- 308592
- DTXSID
DTXSID40308936
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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