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Home > Boronic Acids > 849062-15-3
849062-15-3 | (3-Butoxy-2,6-difluorophenyl)boronic acid
CAS No: 849062-15-3 Catalog No: AG003J5N MDL No:MFCD07369754
Product Description
Catalog Number:
AG003J5N
Chemical Name:
(3-Butoxy-2,6-difluorophenyl)boronic acid
CAS Number:
849062-15-3
Molecular Formula:
C10H13BF2O3
Molecular Weight:
230.0162
MDL Number:
MFCD07369754
IUPAC Name:
(3-butoxy-2,6-difluorophenyl)boronic acid
InChI:
InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3
InChI Key:
LWJYMUNYLKIETN-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1F)B(O)O)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.018g/mol
Monoisotopic Mass:
230.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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