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Home > Boronic Acids > 1150114-31-0
1150114-31-0 | Pentanoic acid, 5-(3-borono-2,4,6-trifluorophenoxy)-, 1-ethyl ester
CAS No: 1150114-31-0 Catalog No: AG000FLS MDL No:MFCD11855835
Product Description
Catalog Number:
AG000FLS
Chemical Name:
Pentanoic acid, 5-(3-borono-2,4,6-trifluorophenoxy)-, 1-ethyl ester
CAS Number:
1150114-31-0
Molecular Formula:
C13H16BF3O5
Molecular Weight:
320.0693
MDL Number:
MFCD11855835
IUPAC Name:
[3-(5-ethoxy-5-oxopentoxy)-2,4,6-trifluorophenyl]boronic acid
InChI:
InChI=1S/C13H16BF3O5/c1-2-21-10(18)5-3-4-6-22-13-9(16)7-8(15)11(12(13)17)14(19)20/h7,19-20H,2-6H2,1H3
InChI Key:
IZPKPMGAODMUFI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1c(F)cc(c(c1F)B(O)O)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.071g/mol
Monoisotopic Mass:
320.104g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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