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Home > Boronic Acids > 1704064-19-6
1704064-19-6 | (2-(benzyloxy)-4-(trifluoromethoxy)phenyl)boronic acid
CAS No: 1704064-19-6 Catalog No: AG01DDJW MDL No:MFCD28384207
Product Description
Catalog Number:
AG01DDJW
Chemical Name:
(2-(benzyloxy)-4-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
1704064-19-6
Molecular Formula:
C14H12BF3O4
Molecular Weight:
312.0489
MDL Number:
MFCD28384207
IUPAC Name:
[2-phenylmethoxy-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O4/c16-14(17,18)22-11-6-7-12(15(19)20)13(8-11)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
InChI Key:
KIRMWAKVUHCRAP-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1OCc1ccccc1)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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