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  • p-Bromobenzoic Acid

    • p-Bromobenzoic Acid

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    Catalog Number
    ACM586765-1
    Product Name
    p-Bromobenzoic Acid
    Structure
    CAS
    586-76-5
    Category
    Liquid Crystal (LC) Building Blocks
    Description
    4-bromobenzoic acid appears as colorless to red crystals. (NTP, 1992)
    IUPAC Name
    4-bromobenzoic acid
    Molecular Weight
    201.02g/mol
    Molecular Formula
    C7H5BrO2
    Canonical SMILES
    C1=CC(=CC=C1C(=O)O)Br
    InChI
    InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
    InChI Key
    TUXYZHVUPGXXQG-UHFFFAOYSA-N
    Melting Point
    473.9 °F (NTP, 1992);254.5 °C
    Solubility
    2.98e-04 M
    Complexity
    128
    Covalently-Bonded Unit Count
    1
    EC Number
    209-581-7
    Exact Mass
    199.94729g/mol
    Formal Charge
    0
    Heavy Atom Count
    10
    Log P
    2.86 (LogP)
    Monoisotopic Mass
    199.94729g/mol
    NSC Number
    17582
    Rotatable Bond Count
    1
    UNII
    6992P6102O
    Vapor Pressure
    9.95e-06 mmHg
    XLogP3
    2.9
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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