Cas no 16420-39-6 (Methyl 5-bromo-1H-pyrrole-3-carboxylate)

Methyl 5-bromo-1H-pyrrole-3-carboxylate structure
16420-39-6 structure
Product Name:Methyl 5-bromo-1H-pyrrole-3-carboxylate
CAS No:16420-39-6
MF:C6H6BrNO2
MW:204.021340847015
MDL:MFCD09841652
CID:1011393
PubChem ID:23271158
Update Time:2025-04-20

Methyl 5-bromo-1H-pyrrole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromo-1H-pyrrole-3-carboxylate
    • C6H6BrNO2
    • METHYL 5-BROMO-3-PYRROLECARBOXYLATE
    • 5-Bromo-3-(methoxycarbonyl)-1H-pyrrole
    • 2-Bromo-4-(methoxycarbonyl)-1H-pyrrole
    • 5-broMo-pyrrole-3-carboxylic acid Methyl ester
    • 1H-Pyrrole-3-carboxylic acid, 5-bromo-, methyl ester
    • 5-Bromo-1H-pyrrole-3-carboxylic acid methyl ester
    • XFBMRYPQVXPYQB-UHFFFAOYSA-N
    • Methyl5-Bromo-3-pyrrolecarboxylate
    • 8344AA
    • TRA0061576
    • AM803294
    • SY006285
    • ST2413438
    • Methyl5-bromo-1H-pyrrole-3-carboxylate
    • SCHEMBL1156046
    • AKOS015903647
    • CS-W006282
    • MFCD09841652
    • SB62056
    • DS-15206
    • DTXSID00632087
    • 16420-39-6
    • MDL: MFCD09841652
    • Inchi: 1S/C6H6BrNO2/c1-10-6(9)4-2-5(7)8-3-4/h2-3,8H,1H3
    • InChI Key: XFBMRYPQVXPYQB-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C(=O)OC)=CN1

Computed Properties

  • Exact Mass: 202.95800
  • Monoisotopic Mass: 202.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 140
  • 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
  • Topological Polar Surface Area: 42.1
  • XLogP3: 1.6

Experimental Properties

  • Flash Point: 160.148℃
  • PSA: 42.09000
  • LogP: 1.56380

Methyl 5-bromo-1H-pyrrole-3-carboxylate Security Information

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