2,4-Dichloro-5-[3,4,5-trimethoxybenzyl]pyrimidine
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Basic information
- CAS
55694-05-8- Standard SMILES
COc1cc(Cc2cnc(Cl)nc2Cl)cc(OC)c1OC- InChIKey
XFXYMANASNSHQX-UHFFFAOYSA-N- Molecular formula
- C14H14Cl2N2O3
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 328.0381477
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-[3,4,5-trimethoxybenzyl]pyrimidine
- IUPAC
- 2,4-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
- English name
- 2,4-Dichloro-5-[3,4,5-trimethoxybenzyl]pyrimidine
- Molecular formula
- C14H14Cl2N2O3
- Molecular weight
- 329.18
Names & synonyms
2,4-Dichloro-5-[3,4,5-trimethoxybenzyl]pyrimidine55694-05-8DTXSID903480892,4-Dichloro-5-(3,4,5-trimethoxybenzyl)pyrimidineRefChem:246221DTXCID70299161XFXYMANASNSHQX-UHFFFAOYSA-N2,4-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidineSCHEMBL11863386Pyrimidine, 2,4-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]-
Database identifiers
- CAS
55694-05-8- PubChem CID
- 630096
- DTXSID
DTXSID90348089
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Density
- 1.31 · 1.310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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