Cas no 874459-80-0 (Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]-)

Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]- structure
874459-80-0 structure
Product Name:Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]-
CAS No:874459-80-0
MF:C11H14BNO3
MW:219.044763088226
CID:706738
PubChem ID:69046874
Update Time:2025-04-19

Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]-
    • [2-(1-Pyrrolidinylcarbonyl)phenyl]boronic acid
    • Boronic acid, [2-(1-pyrrolidinylcarbonyl)phenyl]-
    • 2-(pyrrolidine-1-carbonyl)phenylboronic acid
    • starbld0042607
    • 874459-80-0
    • SCHEMBL4443752
    • [2-(pyrrolidine-1-carbonyl)phenyl]boronic acid
    • (2-(pyrrolidine-1-carbonyl)phenyl)boronic acid
    • MDL: MFCD11045056
    • Inchi: 1S/C11H14BNO3/c14-11(13-7-3-4-8-13)9-5-1-2-6-10(9)12(15)16/h1-2,5-6,15-16H,3-4,7-8H2
    • InChI Key: HCVMQMSUJGYKOB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1B(O)O)N1CCCC1

Computed Properties

  • Exact Mass: 219.10700
  • Monoisotopic Mass: 219.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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
  • Topological Polar Surface Area: 60.8A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 456.7±47.0 °C at 760 mmHg
  • Flash Point: 230.0±29.3 °C
  • PSA: 60.77000
  • LogP: -0.45970
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Boronic acid,B-[2-(1-pyrrolidinylcarbonyl)phenyl]- Security Information

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