Cas no 39811-69-3 (Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate)

Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate structure
39811-69-3 structure
Product Name:Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate
CAS No:39811-69-3
MF:C11H9BrO2S
MW:285.156961202621
CID:2142247
PubChem ID:21251535
Update Time:2025-04-21

Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-bromomethyl-benzo[b]thiophene-2-carboxylic acid methyl ester
    • METHYL3-(BROMOMETHYL)BENZO[B]THIOPHENE-2-CARBOXYLATE
    • Methyl 3-(Bromomethyl)benzo[b]thiophene-2-carboxylate
    • SCHEMBL1269967
    • 893-454-1
    • 39811-69-3
    • MFCD16622107
    • EN300-65245
    • DB-304472
    • AKOS026727372
    • LJNQYZIGHTUFKC-UHFFFAOYSA-N
    • methyl 3-(bromomethyl)-1-benzothiophene-2-carboxylate
    • PBA81169
    • Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate
    • Inchi: 1S/C11H9BrO2S/c1-14-11(13)10-8(6-12)7-4-2-3-5-9(7)15-10/h2-5H,6H2,1H3
    • InChI Key: LJNQYZIGHTUFKC-UHFFFAOYSA-N
    • SMILES: BrCC1=C(C(=O)OC)SC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 283.95066Da
  • Monoisotopic Mass: 283.95066Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 3.7
  • Topological Polar Surface Area: 54.5?2

Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate Security Information

Methyl 3-(Bromomethyl)-1-benzothiophene-2-carboxylate Pricemore >>

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