Basic information
- CAS
1199-53-7- Standard SMILES
CC(C)c1nc(Cl)c(Cl)c(Cl)n1- InChIKey
ATGYGVVUZSGNKF-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3N2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.967481
Names & identifiers
- Preferred name
- 4,5,6-Trichloro-2-propan-2-ylpyrimidine
- IUPAC
- 4,5,6-trichloro-2-propan-2-ylpyrimidine
Names & synonyms
1199-53-74,5,6-TRICHLORO-2-ISOPROPYLPYRIMIDINE4,5,6-trichloro-2-propan-2-ylpyrimidineNSC669164,5,6-trichloro-2-(propan-2-yl)pyrimidineCHEMBL1970224SCHEMBL26647180DTXSID80290129NSC-66916NCI60_024089DB-380043
Database identifiers
- CAS
1199-53-7- PubChem CID
- 249014
- DTXSID
DTXSID80290129- ChEMBL
CHEMBL1970224
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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