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Home > Boronic Acids > 1072951-52-0
1072951-52-0 | (2-Fluoro-5-pentanoylphenyl);boronic acid
CAS No: 1072951-52-0 Catalog No: AG003BN7 MDL No:MFCD11504855
Product Description
Catalog Number:
AG003BN7
Chemical Name:
(2-Fluoro-5-pentanoylphenyl);boronic acid
CAS Number:
1072951-52-0
Molecular Formula:
C11H14BFO3
Molecular Weight:
224.0365
MDL Number:
MFCD11504855
IUPAC Name:
(2-fluoro-5-pentanoylphenyl)boronic acid
InChI:
InChI=1S/C11H14BFO3/c1-2-3-4-11(14)8-5-6-10(13)9(7-8)12(15)16/h5-7,15-16H,2-4H2,1H3
InChI Key:
IEVYFHJRPUPPAO-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(c(c1)B(O)O)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.038g/mol
Monoisotopic Mass:
224.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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