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Home > Boronic Acids > 870777-17-6
870777-17-6 | (2-Fluoro-6-isopropoxyphenyl);boronic acid
CAS No: 870777-17-6 Catalog No: AG004GDJ MDL No:MFCD06798078
Product Description
Catalog Number:
AG004GDJ
Chemical Name:
(2-Fluoro-6-isopropoxyphenyl);boronic acid
CAS Number:
870777-17-6
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD06798078
IUPAC Name:
(2-fluoro-6-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
WVAMTUDWTJMGSG-UHFFFAOYSA-N
SMILES:
OB(c1c(OC(C)C)cccc1F)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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