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Home > Boronic Acids > 1256345-88-6
1256345-88-6 | Boronic acid, B-[3-methoxy-5-(trifluoromethoxy)phenyl]-
CAS No: 1256345-88-6 Catalog No: AG000O0R MDL No:MFCD12026733
Product Description
Catalog Number:
AG000O0R
Chemical Name:
Boronic acid, B-[3-methoxy-5-(trifluoromethoxy)phenyl]-
CAS Number:
1256345-88-6
Molecular Formula:
C8H8BF3O4
Molecular Weight:
235.9529
MDL Number:
MFCD12026733
IUPAC Name:
[3-methoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O4/c1-15-6-2-5(9(13)14)3-7(4-6)16-8(10,11)12/h2-4,13-14H,1H3
InChI Key:
PXUPNHCVYUKZFI-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.953g/mol
Monoisotopic Mass:
236.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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