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Home > Boronic Acids > 1704064-24-3
1704064-24-3 | (2-fluoro-4-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid
CAS No: 1704064-24-3 Catalog No: AG019ESX MDL No:MFCD28805544
Product Description
Catalog Number:
AG019ESX
Chemical Name:
(2-fluoro-4-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid
CAS Number:
1704064-24-3
Molecular Formula:
C12H18BFN2O2
Molecular Weight:
252.0929
MDL Number:
MFCD28805544
IUPAC Name:
[2-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H18BFN2O2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13(17)18)12(14)8-10/h2-3,8,17-18H,4-7,9H2,1H3
InChI Key:
PQCLZDROEBOKIK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(c(c1)F)B(O)O
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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