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Home > Boronic Acids > 849062-01-7
849062-01-7 | (3-((3,5-Dimethoxybenzyl)oxy)-2,6-difluorophenyl)boronic acid
CAS No: 849062-01-7 Catalog No: AG003G42 MDL No:MFCD07369738
Product Description
Catalog Number:
AG003G42
Chemical Name:
(3-((3,5-Dimethoxybenzyl)oxy)-2,6-difluorophenyl)boronic acid
CAS Number:
849062-01-7
Molecular Formula:
C15H15BF2O5
Molecular Weight:
324.0844
MDL Number:
MFCD07369738
IUPAC Name:
[3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl]boronic acid
InChI:
InChI=1S/C15H15BF2O5/c1-21-10-5-9(6-11(7-10)22-2)8-23-13-4-3-12(17)14(15(13)18)16(19)20/h3-7,19-20H,8H2,1-2H3
InChI Key:
CKMBETHVNGWKIN-UHFFFAOYSA-N
SMILES:
COc1cc(COc2ccc(c(c2F)B(O)O)F)cc(c1)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.087g/mol
Monoisotopic Mass:
324.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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