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Home > Boronic Acids > 1704073-49-3
1704073-49-3 | (3-fluoro-5-(4-Methylpiperazin-1-yl)phenyl)boronic acid
CAS No: 1704073-49-3 Catalog No: AG00ARB6 MDL No:MFCD24448996
Product Description
Catalog Number:
AG00ARB6
Chemical Name:
(3-fluoro-5-(4-Methylpiperazin-1-yl)phenyl)boronic acid
CAS Number:
1704073-49-3
Molecular Formula:
C11H16BFN2O2
Molecular Weight:
238.0663
MDL Number:
MFCD24448996
IUPAC Name:
[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BFN2O2/c1-14-2-4-15(5-3-14)11-7-9(12(16)17)6-10(13)8-11/h6-8,16-17H,2-5H2,1H3
InChI Key:
LOIYMTSRYIXULX-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cc(F)cc(c1)B(O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.129g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.069g/mol
Monoisotopic Mass:
238.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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