6-[(4-amino-3-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Basic information
- CAS
18364-63-1- Standard SMILES
Nc1ccc(Cc2cc(=O)[nH]c(=O)[nH]2)cc1[N+](=O)[O-]- InChIKey
QHQKJNPOPBOCJA-UHFFFAOYSA-N- Molecular formula
- C11H10N4O4
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.07020481
Names & identifiers
- Preferred name
- 6-[(4-amino-3-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(4-amino-3-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21042918364-63-1DTXSID10308943NSC-2104296-[(4-Amino-3-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
18364-63-1- PubChem CID
- 308601
- DTXSID
DTXSID10308943
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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