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1400755-06-7 | Benzenemethanol, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1400755-06-7 Catalog No: AG001C01 MDL No:MFCD18729955
Product Description
Catalog Number:
AG001C01
Chemical Name:
Benzenemethanol, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1400755-06-7
Molecular Formula:
C13H18BFO3
Molecular Weight:
252.0896
MDL Number:
MFCD18729955
IUPAC Name:
[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI:
InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key:
PFTKOQBWYWEFTD-UHFFFAOYSA-N
SMILES:
OCc1cc(F)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.092g/mol
Monoisotopic Mass:
252.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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