2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
Basic information
- CAS
14077-69-1- Standard SMILES
CC(C)CCc1c(Cl)nc(Cl)nc1Cl- InChIKey
YLMRYOCDUSEBFI-UHFFFAOYSA-N- Molecular formula
- C9H11Cl3N2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 251.998781
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine
- IUPAC
- 2,4,6-trichloro-5-(3-methylbutyl)pyrimidine
Names & synonyms
14077-69-12,4,6-trichloro-5-(3-methylbutyl)pyrimidineNSC92498NCIOpen2_005971Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-SCHEMBL5556067CHEMBL1965704DTXSID40293818NSC-92498NCI60_042048DS-012378
Database identifiers
- CAS
14077-69-1- PubChem CID
- 260784
- DTXSID
DTXSID40293818- ChEMBL
CHEMBL1965704
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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