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Home > Boronic Acids > 849062-08-4
849062-08-4 | (2,4,6-Trifluoro-3-methoxyphenyl);boronic acid
CAS No: 849062-08-4 Catalog No: AG003JML MDL No:MFCD07369755
Product Description
Catalog Number:
AG003JML
Chemical Name:
(2,4,6-Trifluoro-3-methoxyphenyl);boronic acid
CAS Number:
849062-08-4
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD07369755
IUPAC Name:
(2,4,6-trifluoro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H6BF3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2,12-13H,1H3
InChI Key:
RDORBPOVXUMTLU-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(c(c1F)B(O)O)F
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.927g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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