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    [3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate manufacturers and suppliers on PharmaCompass

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    [3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate

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    [3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate
    Also known as: [3-(2-cyanoacetyl)phenyl] diethyl phosphate, Beta-ketonitrile 5h, Chembl226711, Bdbm16190, Zinc14960889, Phosphoric acid, 3-(cyanoacetyl)phenyl diethyl ester
    Molecular Formula
    C13H16NO5P
    Molecular Weight
    297.24  g/mol
    InChI Key
    QAKLCHHPNCSIJW-UHFFFAOYSA-N
    1 2D Structure

    [3-(2-Cyanoacetyl)Phenyl] Diethyl Phosphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-(2-cyanoacetyl)phenyl] diethyl phosphate
    2.1.2 InChI
    InChI=1S/C13H16NO5P/c1-3-17-20(16,18-4-2)19-12-7-5-6-11(10-12)13(15)8-9-14/h5-7,10H,3-4,8H2,1-2H3
    2.1.3 InChI Key
    QAKLCHHPNCSIJW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOP(=O)(OCC)OC1=CC=CC(=C1)C(=O)CC#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. [3-(2-cyanoacetyl)phenyl] Diethyl Phosphate

    2. Beta-ketonitrile 5h

    3. Chembl226711

    4. Bdbm16190

    5. Zinc14960889

    6. Phosphoric Acid, 3-(cyanoacetyl)phenyl Diethyl Ester

    2.3 Create Date
    2007-09-14
    3 Chemical and Physical Properties
    Molecular Weight 297.24 g/mol
    Molecular Formula C13H16NO5P
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass297.07660961 g/mol
    Monoisotopic Mass297.07660961 g/mol
    Topological Polar Surface Area85.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity406
    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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    BEC Chemicals Pvt. Ltd

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    Ketoprofen Nitrole

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    42872-30-3
    Ketoprofen
    BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing o...
    BEC Chemicals Pvt. Ltd., was founded by Late Mr. M. T. Shah in 1979 and is specialized in manufacturing of Active pharmaceutical Ingredients (API’s) and Intermediates. The company’s head office is based in Mumbai (close to the International Airport) and manufacturing unit at Roha (125 kms from Mumbai). The manufacturing unit has been approved by Indian, American ,European and Japanese Drug Authority and is EU-GMP, USFDA , WHO-GMP , State GMP and PMDA Certified. The company is ISO 9001:2008, 14001:2004, 18000:2007, OHSAS certified by SGS-UK.
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