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Home > Boronic Acids > 1072946-41-8
1072946-41-8 | 4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
CAS No: 1072946-41-8 Catalog No: AG003895 MDL No:MFCD11053806
Product Description
Catalog Number:
AG003895
Chemical Name:
4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
CAS Number:
1072946-41-8
Molecular Formula:
C9H9BF2O4
Molecular Weight:
229.9732
MDL Number:
MFCD11053806
IUPAC Name:
[4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]boronic acid
InChI:
InChI=1S/C9H9BF2O4/c11-6-3-5(9-15-1-2-16-9)4-7(12)8(6)10(13)14/h3-4,9,13-14H,1-2H2
InChI Key:
GTBJZTQCEQYQLQ-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cc(cc1F)C1OCCO1)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.974g/mol
Monoisotopic Mass:
230.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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