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Home > Boronic Acids > 1007170-59-3
1007170-59-3 | Boronic acid, B-[3-(phenylmethoxy)-4-(trifluoromethyl)phenyl]-
CAS No: 1007170-59-3 Catalog No: AG0002PE MDL No:MFCD20441815
Product Description
Catalog Number:
AG0002PE
Chemical Name:
Boronic acid, B-[3-(phenylmethoxy)-4-(trifluoromethyl)phenyl]-
CAS Number:
1007170-59-3
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
MDL Number:
MFCD20441815
IUPAC Name:
[3-phenylmethoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O3/c16-14(17,18)12-7-6-11(15(19)20)8-13(12)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
InChI Key:
HGYGXHGBCASPGE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCc1ccccc1)C(F)(F)F)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.052g/mol
Monoisotopic Mass:
296.083g/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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