Basic information
- CAS
58-81-1- Standard SMILES
CCCc1c(Cl)nc(Cl)nc1Cl- InChIKey
DXTBIYCCTAVSID-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3N2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.967481
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-5-propylpyrimidine
- IUPAC
- 2,4,6-trichloro-5-propylpyrimidine
- English name
- 2,4,6-Trichloro-5-n-propylpyriMidine, 96%
- Molecular formula
- C7H7Cl3N2
- Molecular weight
- 225.5
Names & synonyms
2,4,6-trichloro-5-propylpyrimidine58-81-1NSC669142,4,6-Trichloro-5-n-propylpyrimidineNCIMech_000228NCIOpen2_002910CHEMBL1975293DTXSID60290127CCG-35477NSC-66914Pyrimidine,4,6-trichloro-5-propyl-NCI60_024068
Show more names
Pyrimidine, 2,4,6-trichloro-5-propyl-2,4,6-Trichloro-5-n-propylpyriMidine, 96%
PD011759
Database identifiers
- CAS
58-81-1- PubChem CID
- 249012
- DTXSID
DTXSID60290127- ChEMBL
CHEMBL1975293
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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