Cas no 34084-87-2 (4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester)

4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester structure
34084-87-2 structure
Product Name:4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester
CAS No:34084-87-2
MF:C10H7NO4S
MW:237.231881380081
MDL:MFCD13180960
CID:1036401
PubChem ID:59341424
Update Time:2025-04-20

4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-nitrobenzo[b]thiophene-2-carboxylate
    • Methyl 4-nitro-1-benzothiophene-2-carboxylate
    • LogP
    • Methyl-4-nitro-1-benzothiophen-2-carboxylat
    • 4-Nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
    • DTXSID60731585
    • Methyl4-nitrobenzo[b]thiophene-2-carboxylate
    • Benzo[b]thiophene-2-carboxylic acid, 4-nitro-, methyl ester
    • Methyl4-nitro-1-benzothiophene-2-carboxylate
    • SB36703
    • SCHEMBL829093
    • CS-0148774
    • SUEKXWDIHCBEHT-UHFFFAOYSA-N
    • 34084-87-2
    • MFCD13180960
    • DB-119451
    • 4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester
    • MDL： MFCD13180960
    • Inchi： 1S/C10H7NO4S/c1-15-10(12)9-5-6-7(11(13)14)3-2-4-8(6)16-9/h2-5H,1H3
    • InChI Key： SUEKXWDIHCBEHT-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=CC2C(=CC=CC1=2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 237.00961
  • Monoisotopic Mass: 237.00957888g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 304
  • 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
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 393.2°C at 760 mmHg
  • Flash Point: 191.6°C
  • Refractive Index: 1.669
  • PSA: 69.44

4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester Security Information

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TRC
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 $ 185.00 2022-06-03
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4-Nitro-benzobthiophene-2-carboxylic Acid Methyl Ester
 34084-87-2
100mg
 $ 295.00 2022-06-03

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