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3-[(4-Chlorophenyl)methyl]-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile

Base Information
  • Chemical Name:3-[(4-Chlorophenyl)methyl]-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile
  • CAS No.:51213-02-6
  • Molecular Formula:C20H20ClN3O6
  • Molecular Weight:433.8423
  • Hs Code.:
  • NSC Number:170730,170729
  • DSSTox Substance ID:DTXSID00965448
3-[(4-Chlorophenyl)methyl]-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile

Synonyms:51172-65-7;NSC170729;DTXSID00965448;NSC170730;NSC-170729;NSC-170730;3-[(4-Chlorophenyl)methyl]-1-[2,3-O-(1-methylethylidene)pentofuranosyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;51213-02-6

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Chemical Property of 3-[(4-Chlorophenyl)methyl]-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidine-5-carbonitrile
Chemical Property:
  • Vapor Pressure:1.43E-14mmHg at 25°C 
  • Refractive Index:1.653 
  • Boiling Point:585.9°Cat760mmHg 
  • Flash Point:308.1°C 
  • Density:1.51g/cm3 
  • XLogP3:0.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:4
  • Exact Mass:433.1040631
  • Heavy Atom Count:30
  • Complexity:800
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MSDS Files:

SDS file from LookChem

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  • Canonical SMILES:CC1(OC2C(OC(C2O1)N3C=C(C(=O)N(C3=O)CC4=CC=C(C=C4)Cl)C#N)CO)C
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