Basic information
- CAS
82531-55-3- Standard SMILES
CC1([N+](=O)[O-])C(=O)NC(=O)NC1OC(=O)C(Cl)Cl- InChIKey
XHNRVDJBGSWOTP-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2N3O6
- Average molar mass
- 300.05 g/mol
- Monoisotopic mass
- 298.9711903
Names & identifiers
- Preferred name
- 2,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetate
- IUPAC
- (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2,2-dichloroacetate
Names & synonyms
82531-55-3DTXSID4010027622,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl dichloroacetateRefChem:1060256DTXCID601429693BRN 55935964-Dichloroacetyloxy-5-nitro-4,5-dihydrothymineDichloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl esterACETIC ACID, DICHLORO-, HEXAHYDRO-2,6-DIOXO-5-METHYL-5-NITRO-4-PYRIMIDINYL ESTER
Database identifiers
- CAS
82531-55-3- PubChem CID
- 54883
- DTXSID
DTXSID401002762
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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