Basic information
- CAS
82531-54-2- Standard SMILES
CC1([N+](=O)[O-])C(=O)NC(=O)NC1OC(=O)CCl- InChIKey
ZXKILZLLJCXOQV-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O6
- Average molar mass
- 265.61 g/mol
- Monoisotopic mass
- 265.0101627
Names & identifiers
- Preferred name
- Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
- IUPAC
- (5-methyl-5-nitro-2,6-dioxo-1,3-diazinan-4-yl) 2-chloroacetate
- English name
- 4-Chloroacetyloxy-5-nitro-4,5-dihydrothymine
- Molecular weight
- 0
Names & synonyms
82531-54-2ACETIC ACID, CHLORO-, HEXAHYDRO-2,6-DIOXO-5-METHYL-5-NITRO-4-PYRIMIDINYL ESTERRefChem:1075771BRN 55853004-Chloroacetyloxy-5-nitro-4,5-dihydrothymineChloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl esterDTXSID7010027612,6-Dihydroxy-5-methyl-5-nitro-4,5-dihydropyrimidin-4-yl chloroacetate
Database identifiers
- CAS
82531-54-2- PubChem CID
- 54882
- DTXSID
DTXSID701002761
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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