Cas no 647020-70-0 (Methyl 2-chloro-3-fluorobenzoate)

Methyl 2-chloro-3-fluorobenzoate structure
647020-70-0 structure
Product Name:Methyl 2-chloro-3-fluorobenzoate
CAS No:647020-70-0
MF:C8H6ClFO2
MW:188.583445072174
MDL:MFCD10566821
CID:418312
PubChem ID:13470960
Update Time:2025-04-19

Methyl 2-chloro-3-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-chloro-3-fluorobenzoate
    • LogP
    • 2-Chloro-3-fluorobenzoic acid methyl ester
    • Benzoic acid, 2-chloro-3-fluoro-, methyl ester
    • E90368
    • 647020-70-0
    • SCHEMBL1181190
    • AKOS006302223
    • BS-29272
    • CS-0195309
    • FT-0746221
    • DTXSID20541662
    • MFCD10566821
    • Methyl2-chloro-3-fluorobenzoate
    • MDL: MFCD10566821
    • Inchi: 1S/C8H6ClFO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3
    • InChI Key: NRTGZMADMOJUAV-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=CC=1C(=O)OC)F

Computed Properties

  • Exact Mass: 188.00408
  • Monoisotopic Mass: 188.0040353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 2.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Methyl 2-chloro-3-fluorobenzoate Pricemore >>

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