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Home > Boronic Acids > 1256345-95-5
1256345-95-5 | Boronic acid, B-[3-(phenylmethoxy)-5-(trifluoromethoxy)phenyl]-
CAS No: 1256345-95-5 Catalog No: AG000O0K MDL No:MFCD16036111
Product Description
Catalog Number:
AG000O0K
Chemical Name:
Boronic acid, B-[3-(phenylmethoxy)-5-(trifluoromethoxy)phenyl]-
CAS Number:
1256345-95-5
Molecular Formula:
C14H12BF3O4
Molecular Weight:
312.0489
MDL Number:
MFCD16036111
IUPAC Name:
[3-phenylmethoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-7-11(15(19)20)6-12(8-13)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
InChI Key:
BDELXVOPRDLJAU-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCc2ccccc2)cc(c1)OC(F)(F)F)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.051g/mol
Monoisotopic Mass:
312.078g/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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