Cas no 628692-19-3 (1,3,2-Dioxaborinane, 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-)
628692-19-3 structure
Product Name:1,3,2-Dioxaborinane, 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-
CAS No:628692-19-3
MF:C11H13BClFO2
MW:242.482125997543
CID:1641091
PubChem ID:17964834
Update Time:2025-04-21
1,3,2-Dioxaborinane, 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaborinane, 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-
- SCHEMBL2658949
- 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane
- 628692-19-3
- DTXSID601185340
- 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
- GUCWDXUVQBCYLC-UHFFFAOYSA-N
-
- Inchi： 1S/C11H13BClFO2/c1-11(2)6-15-12(16-7-11)9-5-8(13)3-4-10(9)14/h3-5H,6-7H2,1-2H3
- InChI Key： GUCWDXUVQBCYLC-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(B2OCC(C)(C)CO2)=C1)F
Computed Properties
- Exact Mass: 241.07179
- Monoisotopic Mass: 242.0681157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 242
- 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-Dioxaborinane, 2-(5-chloro-2-fluorophenyl)-5,5-dimethyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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