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Home > Boronic Acids > 1256346-04-9
1256346-04-9 | Boronic acid, B-[3-(cyclopentyloxy)-5-(trifluoromethoxy)phenyl]-
CAS No: 1256346-04-9 Catalog No: AG000O1P MDL No:MFCD16295065
Product Description
Catalog Number:
AG000O1P
Chemical Name:
Boronic acid, B-[3-(cyclopentyloxy)-5-(trifluoromethoxy)phenyl]-
CAS Number:
1256346-04-9
Molecular Formula:
C12H14BF3O4
Molecular Weight:
290.0434
MDL Number:
MFCD16295065
IUPAC Name:
[3-cyclopentyloxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H14BF3O4/c14-12(15,16)20-11-6-8(13(17)18)5-10(7-11)19-9-3-1-2-4-9/h5-7,9,17-18H,1-4H2
InChI Key:
HPSHUTQIASVROT-UHFFFAOYSA-N
SMILES:
OB(c1cc(OC2CCCC2)cc(c1)OC(F)(F)F)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.045g/mol
Monoisotopic Mass:
290.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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