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Home > Boronic Acids > 1217500-68-9
1217500-68-9 | Boronic acid, B-[2-fluoro-5-(phenylmethoxy)phenyl]-
CAS No: 1217500-68-9 Catalog No: AG0015R4 MDL No:MFCD13195645
Product Description
Catalog Number:
AG0015R4
Chemical Name:
Boronic acid, B-[2-fluoro-5-(phenylmethoxy)phenyl]-
CAS Number:
1217500-68-9
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD13195645
IUPAC Name:
(2-fluoro-5-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
DIHHJULQESBDHE-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCc2ccccc2)ccc1F)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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