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Home > Boronic Acids > 1072951-78-0
1072951-78-0 | (4-((2-Fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 1072951-78-0 Catalog No: AG003BTU MDL No:MFCD08705274
Product Description
Catalog Number:
AG003BTU
Chemical Name:
(4-((2-Fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
1072951-78-0
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD08705274
IUPAC Name:
[4-[(2-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)14(16)17/h1-8,16-17H,9H2
InChI Key:
MSMQSLDBKPNEPX-UHFFFAOYSA-N
SMILES:
Fc1ccccc1COc1ccc(cc1)B(O)O
Properties
Complexity:
244
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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