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Home > Boronic Acids > 1150114-56-9
1150114-56-9 | Boronic acid, B-[3,5-difluoro-2-(phenylmethoxy)phenyl]-
CAS No: 1150114-56-9 Catalog No: AG000FML MDL No:MFCD11855849
Product Description
Catalog Number:
AG000FML
Chemical Name:
Boronic acid, B-[3,5-difluoro-2-(phenylmethoxy)phenyl]-
CAS Number:
1150114-56-9
Molecular Formula:
C13H11BF2O3
Molecular Weight:
264.0324
MDL Number:
MFCD11855849
IUPAC Name:
(3,5-difluoro-2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BF2O3/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
IHFUXROSLRIZDZ-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)B(O)O)OCc1ccccc1
Properties
Complexity:
275
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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