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Home > Boronic Acids > 166744-78-1
166744-78-1 | Boronic acid, B-[2-fluoro-4-(phenylmethoxy)phenyl]-
CAS No: 166744-78-1 Catalog No: AG001WX5 MDL No:MFCD02093064
Product Description
Catalog Number:
AG001WX5
Chemical Name:
Boronic acid, B-[2-fluoro-4-(phenylmethoxy)phenyl]-
CAS Number:
166744-78-1
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD02093064
IUPAC Name:
(2-fluoro-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
PQWKGFALWCOVTC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1F)OCc1ccccc1)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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