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Home > Boronic Acids > 871125-82-5
871125-82-5 | (4-((4-Fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 871125-82-5 Catalog No: AG003K20 MDL No:MFCD07784403
Product Description
Catalog Number:
AG003K20
Chemical Name:
(4-((4-Fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
871125-82-5
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD07784403
IUPAC Name:
[4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8,16-17H,9H2
InChI Key:
HNQLLMVLGZJPJT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1ccc(cc1)B(O)O
Properties
Complexity:
236
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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