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Home > Boronic Acids > 754226-34-1
754226-34-1 | 3-Fluoro-4-methoxyphenylboronic acid, pinacol ester
CAS No: 754226-34-1 Catalog No: AG00G36I MDL No:MFCD05863912
Product Description
Catalog Number:
AG00G36I
Chemical Name:
3-Fluoro-4-methoxyphenylboronic acid, pinacol ester
CAS Number:
754226-34-1
Molecular Formula:
C13H18BFO3
Molecular Weight:
252.0896
MDL Number:
MFCD05863912
IUPAC Name:
2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8H,1-5H3
InChI Key:
BCVSHUZDQUHOQZ-UHFFFAOYSA-N
SMILES:
COc1ccc(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:
0
Isotope Atom Count:
0
Molecular Weight:
252.092g/mol
Monoisotopic Mass:
252.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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