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Home > Boronic Acids > 870778-97-5
870778-97-5 | (4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid
CAS No: 870778-97-5 Catalog No: AG004MVG MDL No:MFCD08276770
Product Description
Catalog Number:
AG004MVG
Chemical Name:
(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid
CAS Number:
870778-97-5
Molecular Formula:
C14H12BF3O4
Molecular Weight:
312.0489
MDL Number:
MFCD08276770
IUPAC Name:
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-7-5-12(6-8-13)21-9-10-1-3-11(4-2-10)15(19)20/h1-8,19-20H,9H2
InChI Key:
BAJVPURXOFJFRW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COc1ccc(cc1)OC(F)(F)F)O
Properties
Complexity:
325
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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