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Home > Boronic Acids > 1072951-62-2

1072951-62-2

1072951-62-2 | (3-((3-Fluorobenzyl)oxy)phenyl)boronic acid

CAS No: 1072951-62-2 Catalog No: AG003BPZ MDL No:MFCD08276822

Product Description

Catalog Number:
AG003BPZ
Chemical Name:
(3-((3-Fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
1072951-62-2
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD08276822
IUPAC Name:
[3-[(3-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8,16-17H,9H2
InChI Key:
OGVHSTHPCKWLSC-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COc1cccc(c1)B(O)O

Properties

Complexity:
252  
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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