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Home > Boronic Acids > 156487-12-6
156487-12-6 | Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-
CAS No: 156487-12-6 Catalog No: AG001OR6 MDL No:MFCD19441186
Product Description
Catalog Number:
AG001OR6
Chemical Name:
Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-
CAS Number:
156487-12-6
Molecular Formula:
C10H13BF2O3
Molecular Weight:
230.0162
MDL Number:
MFCD19441186
IUPAC Name:
(4-butoxy-2,3-difluorophenyl)boronic acid
InChI:
InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h4-5,14-15H,2-3,6H2,1H3
InChI Key:
NVIGFYPVKZNNAZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1F)F)B(O)O
EC Number:
692-793-0
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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