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23542-71-4 | 1,3,2-Dioxaborolane, 2-phenyl-4,4,5,5-tetrakis(trifluoromethyl)-
CAS No: 23542-71-4 Catalog No: AG002NN2 MDL No:
Product Description
Catalog Number:
AG002NN2
Chemical Name:
1,3,2-Dioxaborolane, 2-phenyl-4,4,5,5-tetrakis(trifluoromethyl)-
CAS Number:
23542-71-4
Molecular Formula:
C12H5BF12O2
Molecular Weight:
419.9587
IUPAC Name:
2-phenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H5BF12O2/c14-9(15,16)7(10(17,18)19)8(11(20,21)22,12(23,24)25)27-13(26-7)6-4-2-1-3-5-6/h1-5H
InChI Key:
BXYINHTUNFFODB-UHFFFAOYSA-N
SMILES:
FC(C1(OB(OC1(C(F)(F)F)C(F)(F)F)c1ccccc1)C(F)(F)F)(F)F
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.019g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.961g/mol
Monoisotopic Mass:
420.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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