Cas no 4406-76-2 (1,3,2-Dioxaborepane,2-phenyl-)
1,3,2-Dioxaborepane,2-phenyl- structure
Product Name:1,3,2-Dioxaborepane,2-phenyl-
CAS No:4406-76-2
MF:C10H13BO2
MW:176.020023107529
CID:332382
PubChem ID:241142
Update Time:2025-04-19
1,3,2-Dioxaborepane,2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaborepane,2-phenyl-
- 2-phenyl-1,3,2-dioxaborepane
- 2-Phenyl-[1,3,2]dioxaborepan
- 2-phenyl-[1,3,2]dioxaborepane
- AC1L66PK
- AC1Q6ZAL
- AG-F-55168
- AR-1E4804
- Butan-1.4-diol-phenylboranat
- CTK4I7968
- NSC48275
- Phenylborsaeure-butylen-(1.4)-ester>
- NSC-48275
- DTXSID20286925
- 4406-76-2
-
- Inchi： 1S/C10H13BO2/c1-2-6-10(7-3-1)11-12-8-4-5-9-13-11/h1-3,6-7H,4-5,8-9H2
- InChI Key： VRVRPDBGTWBSMA-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC=CC=2)OCCCC1
Computed Properties
- Exact Mass: 175.10449
- Monoisotopic Mass: 176.1008598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 138
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
1,3,2-Dioxaborepane,2-phenyl- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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