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Home > Boronic Acids > 913835-77-5
913835-77-5 | (3-((4-Methoxybenzyl);oxy);-5-(trifluoromethyl);phenyl);boronic acid
CAS No: 913835-77-5 Catalog No: AG006NKF MDL No:MFCD08689490
Product Description
Catalog Number:
AG006NKF
Chemical Name:
(3-((4-Methoxybenzyl);oxy);-5-(trifluoromethyl);phenyl);boronic acid
CAS Number:
913835-77-5
Molecular Formula:
C15H14BF3O4
Molecular Weight:
326.0755
MDL Number:
MFCD08689490
IUPAC Name:
[3-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C15H14BF3O4/c1-22-13-4-2-10(3-5-13)9-23-14-7-11(15(17,18)19)6-12(8-14)16(20)21/h2-8,20-21H,9H2,1H3
InChI Key:
PONOBGDQRZFFPE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.078g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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