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Home > Boronic Acids > 1311146-36-7
1311146-36-7 | [5-fluoro-2-(oxan-2-ylmethoxy)phenyl]boronic acid
CAS No: 1311146-36-7 Catalog No: AG01AI2X MDL No:MFCD12080518
Product Description
Catalog Number:
AG01AI2X
Chemical Name:
[5-fluoro-2-(oxan-2-ylmethoxy)phenyl]boronic acid
CAS Number:
1311146-36-7
Molecular Formula:
C12H16BFO4
Molecular Weight:
254.0624
MDL Number:
MFCD12080518
IUPAC Name:
[5-fluoro-2-(oxan-2-ylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H16BFO4/c14-9-4-5-12(11(7-9)13(15)16)18-8-10-3-1-2-6-17-10/h4-5,7,10,15-16H,1-3,6,8H2
InChI Key:
KFIJYABYGSCBOL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCC1CCCCO1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.064g/mol
Monoisotopic Mass:
254.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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