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Home > Boronic Acids > 1082066-29-2
1082066-29-2 | (2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
CAS No: 1082066-29-2 Catalog No: AG00HB3I MDL No:MFCD18732617
Product Description
Catalog Number:
AG00HB3I
Chemical Name:
(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
CAS Number:
1082066-29-2
Molecular Formula:
C13H18BFO3
Molecular Weight:
252.0896
MDL Number:
MFCD18732617
IUPAC Name:
[2-fluoro-4-(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)10-6-5-9(8-16)11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key:
WFGVQMPAZWWWDG-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1F)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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