Cas no 1521587-61-0 (methyl 5-bromo-4-chloro-pyrimidine-2-carboxylate)

methyl 5-bromo-4-chloro-pyrimidine-2-carboxylate structure
1521587-61-0 structure
Product Name:methyl 5-bromo-4-chloro-pyrimidine-2-carboxylate
CAS No:1521587-61-0
MF:C6H4BrClN2O2
MW:251.465159416199
MDL:MFCD21744071
CID:4608076
PubChem ID:66291843
Update Time:2024-11-05

methyl 5-bromo-4-chloro-pyrimidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 5-bromo-4-chloropyrimidine-2-carboxylate
    • methyl 5-bromo-4-chloro-pyrimidine-2-carboxylate
    • 1521587-61-0
    • E73503
    • Methyl5-bromo-4-chloro-pyrimidine-2-carboxylate
    • PB40799
    • MFCD21744071
    • SCHEMBL18420117
    • AKOS015636286
    • PS-15711
    • MDL: MFCD21744071
    • Inchi: 1S/C6H4BrClN2O2/c1-12-6(11)5-9-2-3(7)4(8)10-5/h2H,1H3
    • InChI Key: MMNHMQCUZBREOS-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)=NC=C(Br)C(Cl)=N1

Computed Properties

  • Exact Mass: 249.91447g/mol
  • Monoisotopic Mass: 249.91447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 52.1?2

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