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Home > Boronic Acids > 1072946-61-2
1072946-61-2 | 3-(4-Carboxybutoxy)-2,4,6-trifluorophenylboronic acid
CAS No: 1072946-61-2 Catalog No: AG003I3S MDL No:MFCD11504843
Product Description
Catalog Number:
AG003I3S
Chemical Name:
3-(4-Carboxybutoxy)-2,4,6-trifluorophenylboronic acid
CAS Number:
1072946-61-2
Molecular Formula:
C11H12BF3O5
Molecular Weight:
292.0162
MDL Number:
MFCD11504843
IUPAC Name:
5-(3-borono-2,4,6-trifluorophenoxy)pentanoic acid
InChI:
InChI=1S/C11H12BF3O5/c13-6-5-7(14)11(10(15)9(6)12(18)19)20-4-2-1-3-8(16)17/h5,18-19H,1-4H2,(H,16,17)
InChI Key:
VITMYQUXGWOXGS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1c(F)cc(c(c1F)B(O)O)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.017g/mol
Monoisotopic Mass:
292.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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