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Home > Boronic Acids > 2246544-61-4
2246544-61-4 | (4-((2,6-Difluorobenzyl)oxy)phenyl)boronic acid
CAS No: 2246544-61-4 Catalog No: AG01FKZH MDL No:
Product Description
Catalog Number:
AG01FKZH
Chemical Name:
(4-((2,6-Difluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
2246544-61-4
Molecular Formula:
C13H11BF2O3
Molecular Weight:
264.0324
IUPAC Name:
[4-[(2,6-difluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BF2O3/c15-12-2-1-3-13(16)11(12)8-19-10-6-4-9(5-7-10)14(17)18/h1-7,17-18H,8H2
InChI Key:
MVUGISHBPKVKES-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1COc1ccc(cc1)B(O)O)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.035g/mol
Monoisotopic Mass:
264.077g/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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