Cas no 960198-51-0 (Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate)

Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate structure
960198-51-0 structure
Product Name:Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate
CAS No:960198-51-0
MF:C12H9FN2O2
MW:232.210466146469
CID:891529
PubChem ID:45073367
Update Time:2025-04-19

Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate
    • 2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester
    • MFCD09864714
    • SB59638
    • 2-(3-fluoro-phenyl)-pyrimidine-5-carboxylic acid methyl ester
    • Methyl2-(3-fluorophenyl)pyrimidine-5-carboxylate
    • 960198-51-0
    • FXWRWVBHWUPQAV-UHFFFAOYSA-N
    • 2-(3-Fluoro-phenyl)-pyrimidine-5-carboxylic acid methyl ester, 95%
    • SCHEMBL1364965
    • Inchi： 1S/C12H9FN2O2/c1-17-12(16)9-6-14-11(15-7-9)8-3-2-4-10(13)5-8/h2-7H,1H3
    • InChI Key： FXWRWVBHWUPQAV-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1)C1N=CC(C(=O)OC)=CN=1

Computed Properties

  • Exact Mass: 232.06500
  • Monoisotopic Mass: 232.06480570g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 1.8
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.08000
  • LogP: 2.06930

Methyl 2-(3-fluorophenyl)pyrimidine-5-carboxylate Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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