Cas no 878741-84-5 (methyl 3-bromo-5-(cyanomethyl)benzoate)

methyl 3-bromo-5-(cyanomethyl)benzoate structure
878741-84-5 structure
Product Name:methyl 3-bromo-5-(cyanomethyl)benzoate
CAS No:878741-84-5
MF:C10H8BrNO2
MW:254.080021858215
CID:2147290
PubChem ID:68955467
Update Time:2025-04-21

methyl 3-bromo-5-(cyanomethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-bromo-5-(cyanomethyl)benzoate
    • DTXSID301217318
    • BS-44932
    • Benzoic acid, 3-bromo-5-(cyanomethyl)-, methyl ester
    • HHMMDHGCCRYVID-UHFFFAOYSA-N
    • EN300-363706
    • SCHEMBL4206832
    • DB-343321
    • methyl3-bromo-5-(cyanomethyl)benzoate
    • E84451
    • 878741-84-5
    • 878-186-5
    • DTXCID501648642
    • Inchi： 1S/C10H8BrNO2/c1-14-10(13)8-4-7(2-3-12)5-9(11)6-8/h4-6H,2H2,1H3
    • InChI Key： HHMMDHGCCRYVID-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OC)C=C(CC#N)C=1

Computed Properties

  • Exact Mass: 252.97384g/mol
  • Monoisotopic Mass: 252.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 258
  • 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: 2.1
  • Topological Polar Surface Area: 50.1?2

methyl 3-bromo-5-(cyanomethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
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 878741-84-5 95%
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 878741-84-5 80%
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 878741-84-5 80%
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EN300-363706-0.25g
methyl 3-bromo-5-(cyanomethyl)benzoate
 878741-84-5 80%
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Enamine
EN300-363706-0.5g
methyl 3-bromo-5-(cyanomethyl)benzoate
 878741-84-5 80%
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Enamine
EN300-363706-1.0g
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 878741-84-5 80%
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Enamine
EN300-363706-2.5g
methyl 3-bromo-5-(cyanomethyl)benzoate
 878741-84-5 80%
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Enamine
EN300-363706-5.0g
methyl 3-bromo-5-(cyanomethyl)benzoate
 878741-84-5 80%
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 $3562.0 2023-03-02
Enamine
EN300-363706-10.0g
methyl 3-bromo-5-(cyanomethyl)benzoate
 878741-84-5 80%
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Aaron
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 878741-84-5 95%
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