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Home > Boronic Acids > 1072951-98-4
1072951-98-4 | (4-((3-Fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 1072951-98-4 Catalog No: AG003K14 MDL No:MFCD08276970
Product Description
Catalog Number:
AG003K14
Chemical Name:
(4-((3-Fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
1072951-98-4
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD08276970
IUPAC Name:
[4-[(3-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8,16-17H,9H2
InChI Key:
HLPBNLKHBWJWNP-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COc1ccc(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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