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Home > Boronic Acids > 850589-56-9
850589-56-9 | 3-Benzyloxy-5-fluorophenylboronic acid
CAS No: 850589-56-9 Catalog No: AG004S9G MDL No:MFCD07363782
Product Description
Catalog Number:
AG004S9G
Chemical Name:
3-Benzyloxy-5-fluorophenylboronic acid
CAS Number:
850589-56-9
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD07363782
IUPAC Name:
(3-fluoro-5-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
QQOFKMPPQQMUDH-UHFFFAOYSA-N
SMILES:
Fc1cc(OCc2ccccc2)cc(c1)B(O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.044g/mol
Monoisotopic Mass:
246.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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