Basic information
- Standard SMILES
CCOC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-]- InChIKey
QJPHEKZNWDRCBN-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4O4
- Average molar mass
- 246.61 g/mol
- Monoisotopic mass
- 246.0155824
Names & identifiers
- Preferred name
- Ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
- IUPAC
- ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate
Names & synonyms
ethyl 6-amino-2-chloro-5-nitropyrimidine-4-carboxylate15949-13-0SCHEMBL166734QJPHEKZNWDRCBN-UHFFFAOYSA-NAKOS024273780ST001498CS-0045996
Database identifiers
- PubChem CID
- 4390083
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
1 records
Compound notes
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