Cas no 883898-93-9 (Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-)

Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- structure
883898-93-9 structure
Product Name:Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS No:883898-93-9
MF:C12H13BClNO2
MW:249.501122236252
CID:710453
PubChem ID:11514325
Update Time:2025-04-19

Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
    • 4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
    • 5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER
    • BENZONITRILE,4-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)
    • C-1917
    • DTXSID40467870
    • 883898-93-9
    • AB45903
    • CS-0435281
    • BENZONITRILE, 4-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-
    • SCHEMBL9941695
    • JUJHSJFBHCQGCU-UHFFFAOYSA-N
    • Inchi： 1S/C12H13BClNO2/c1-12(2)7-16-13(17-8-12)11-5-10(14)4-3-9(11)6-15/h3-5H,7-8H2,1-2H3
    • InChI Key： JUJHSJFBHCQGCU-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(C#N)=C(B2OCC(C)(C)CO2)C=1

Computed Properties

  • Exact Mass: 249.07300
  • Monoisotopic Mass: 249.0727865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 318
  • 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: 42.2?2

Experimental Properties

  • PSA: 42.25000
  • LogP: 1.97988

Benzonitrile,4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1505951-1g
4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
 883898-93-9 98%
1g
 ￥2772.00 2024-04-27

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