Cas no 120511-79-7 (Methyl 3-(Bromomethyl)-5-methylbenzoate)

Methyl 3-(Bromomethyl)-5-methylbenzoate structure
120511-79-7 structure
Product Name:Methyl 3-(Bromomethyl)-5-methylbenzoate
CAS No:120511-79-7
MF:C10H11BrO2
MW:243.097142457962
CID:1209728
PubChem ID:19349393
Update Time:2025-04-20

Methyl 3-(Bromomethyl)-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(bromomethyl)-5-methyl-, methyl ester
    • methyl 3-(bromomethyl)-5-methylbenzoate
    • DB-319917
    • 120511-79-7
    • DTXSID10598266
    • LOYWLECAZBDCSU-UHFFFAOYSA-N
    • SCHEMBL334559
    • MFCD12922547
    • methyl-3-bromomethyl-5-methylbenzoate
    • Methyl 3-(Bromomethyl)-5-methylbenzoate
    • Inchi: 1S/C10H11BrO2/c1-7-3-8(6-11)5-9(4-7)10(12)13-2/h3-5H,6H2,1-2H3
    • InChI Key: LOYWLECAZBDCSU-UHFFFAOYSA-N
    • SMILES: BrCC1C=C(C(=O)OC)C=C(C)C=1

Computed Properties

  • Exact Mass: 241.99423
  • Monoisotopic Mass: 241.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 2.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Methyl 3-(Bromomethyl)-5-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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M436365-100mg
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$201.00 2023-05-17
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M436365-250mg
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$477.00 2023-05-17
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$ 1200.00 2023-09-06
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OR62155-1g
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£395.00 2024-05-23
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