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Home > Boronic Acids > 1334173-43-1
1334173-43-1 | (2-FLUORO-5-((4-METHYLPIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID
CAS No: 1334173-43-1 Catalog No: AG01DLIG MDL No:
Product Description
Catalog Number:
AG01DLIG
Chemical Name:
(2-FLUORO-5-((4-METHYLPIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID
CAS Number:
1334173-43-1
Molecular Formula:
C12H18BFN2O2
Molecular Weight:
252.0929
IUPAC Name:
[2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H18BFN2O2/c1-15-4-6-16(7-5-15)9-10-2-3-12(14)11(8-10)13(17)18/h2-3,8,17-18H,4-7,9H2,1H3
InChI Key:
DPEWPPGDRUSVNN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(c(c1)B(O)O)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.096g/mol
Monoisotopic Mass:
252.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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