4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine
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Basic information
- CAS
54660-14-9- Standard SMILES
O=[N+]([O-])c1c(Cl)ncnc1N1CCOCC1- InChIKey
MIPDXPRZNICKKZ-UHFFFAOYSA-N- Molecular formula
- C8H9ClN4O3
- Average molar mass
- 244.63 g/mol
- Monoisotopic mass
- 244.0363179
Names & identifiers
- Preferred name
- 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine
- IUPAC
- 4-(6-chloro-5-nitropyrimidin-4-yl)morpholine
- English name
- IFLAB-BB F2124-0140
- Molecular formula
- C8H9ClN4O3
- Molecular weight
- 244.64
Names & synonyms
4-(6-chloro-5-nitropyrimidin-4-yl)morpholine54660-14-9IFLAB-BB F2124-0140MFCD07440209SCHEMBL28650052SCHEMBL30623370DTXSID00428068ECA66014SBB055921AKOS002663714SY198228DB-071883
Show more names
4-(6-CHLORO-5-NITRO-4-PYRIMIDINYL)MORPHOLINEMorpholine, 4-(6-chloro-5-nitro-4-pyrimidinyl)-
EN300-221067G70905F888914
Database identifiers
- CAS
54660-14-9- PubChem CID
- 7147229
- DTXSID
DTXSID00428068
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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