Basic information
- CAS
1780-39-8- Standard SMILES
Clc1nc(Cl)c(-c2ccccc2)c(Cl)n1- InChIKey
YMCHZJBZJNKSHU-UHFFFAOYSA-N- Molecular formula
- C10H5Cl3N2
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 257.951831
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-5-phenylpyrimidine
- IUPAC
- 2,4,6-trichloro-5-phenylpyrimidine
- English name
- 2,4,6-Trichloro-5-phenylpyrimidine
- Molecular formula
- C10H5Cl3N2
- Molecular weight
- 259.5191
Names & synonyms
2,4,6-Trichloro-5-phenylpyrimidine1780-39-8DTXSID20290128RefChem:245745DTXCID00241274YMCHZJBZJNKSHU-UHFFFAOYSA-NNSC66915CHEMBL1967524NSC-66915Pyrimidine,4,6-trichloro-5-phenyl-2,4,6-trichloro-5-phenyl-pyrimidineSB60342
Show more names
NCI60_024078DS-003585
Database identifiers
- CAS
1780-39-8- PubChem CID
- 249013
- DTXSID
DTXSID20290128- ChEMBL
CHEMBL1967524
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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