Basic information
- CAS
773798-35-9- Standard SMILES
COc1nc(N)ncc1C(=O)Cl- InChIKey
XJZGAWUKXHAQNI-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O2
- Average molar mass
- 187.58 g/mol
- Monoisotopic mass
- 187.0148541
Names & identifiers
- Preferred name
- 2-Amino-4-methoxypyrimidine-5-carbonyl chloride
- IUPAC
- 2-amino-4-methoxypyrimidine-5-carbonyl chloride
- English name
- 5-Pyrimidinecarbonyl chloride, 2-amino-4-methoxy- (9CI)
- Molecular formula
- C6H6ClN3O2
- Molecular weight
- 187.58
Names & synonyms
773798-35-92-Amino-4-methoxypyrimidine-5-carbonyl chlorideSCHEMBL3058044DTXSID405125762-Amino-4-methoxypyrimidine-5-carbonylchloride5-Pyrimidinecarbonyl chloride, 2-amino-4-methoxy-5-Pyrimidinecarbonyl chloride, 2-amino-4-methoxy- (9CI)
Database identifiers
- CAS
773798-35-9- PubChem CID
- 12901644
- DTXSID
DTXSID40512576
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 418.9 · 418.9±48.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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