Found 89 results

Search term: MF = 'C_{12}H_{17}BClNO_{3}'
ChemSpider 2D Image | {3-Chloro-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}boronic acid | C12H17BClNO3

{3-Chloro-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}boronic acid

  • Molecular FormulaC12H17BClNO3
  • Average mass269.532 Da
  • Monoisotopic mass269.098999 Da
  • ChemSpider ID34980463

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3-chloro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)boronic acid
{3-Chlor-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}borsäure [German] [ACD/IUPAC Name]
{3-Chloro-4-[2-(1-pyrrolidinyl)ethoxy]phenyl}boronic acid [ACD/IUPAC Name]
1704074-27-0 [RN]
Acide {3-chloro-4-[2-(1-pyrrolidinyl)éthoxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-chloro-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
{3-CHLORO-4-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYL}BORONIC ACID
3-CHLORO-4-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYLBORONIC ACID
MFCD28400365

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 452.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.0±3.0 kJ/mol
    Flash Point: 227.4±31.5 °C
    Index of Refraction: 1.575
    Molar Refractivity: 69.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): -0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.04
    Polar Surface Area: 53 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 52.0±5.0 dyne/cm
    Molar Volume: 210.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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