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    CAS 1345847-71-3

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    CAS 1345847-71-3
    Also known as: 1345847-71-3, Methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylate, L3h3f16h8j, Methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate, Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropane carboxylate, Cyclopropanecarboxylic acid, 1-(((4-fluorophenyl)amino)carbonyl)-, methyl ester
    Molecular Formula
    C12H12FNO3
    Molecular Weight
    237.23  g/mol
    InChI Key
    BQEDPQDMNWOYLK-UHFFFAOYSA-N
    FDA UNII
    L3H3F16H8J
    1 2D Structure

    CAS 1345847-71-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
    2.1.2 InChI
    InChI=1S/C12H12FNO3/c1-17-11(16)12(6-7-12)10(15)14-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,15)
    2.1.3 InChI Key
    BQEDPQDMNWOYLK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1(CC1)C(=O)NC2=CC=C(C=C2)F
    2.2 Other Identifiers
    2.2.1 UNII
    L3H3F16H8J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1345847-71-3

    2. Methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylate

    3. L3h3f16h8j

    4. Methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate

    5. Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropane Carboxylate

    6. Cyclopropanecarboxylic Acid, 1-(((4-fluorophenyl)amino)carbonyl)-, Methyl Ester

    7. Unii-l3h3f16h8j

    8. Schembl105727

    9. Vdc84771

    10. Mfcd27939981

    11. Akos037648685

    12. Zinc113139125

    13. Bs-15196

    14. Da-33376

    15. Cs-0161985

    16. Ft-0719568

    17. J3.598.034b

    18. C72370

    19. Methyl1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate

    20. 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid Methyl Ester

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 237.23 g/mol
    Molecular Formula C12H12FNO3
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass237.08012141 g/mol
    Monoisotopic Mass237.08012141 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity320
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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