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Home > Boronic Acids > 1107603-51-9
1107603-51-9 | (2-Fluoro-4-propoxyphenyl)boronic acid
CAS No: 1107603-51-9 Catalog No: AG0094FX MDL No:MFCD08701766
Product Description
Catalog Number:
AG0094FX
Chemical Name:
(2-Fluoro-4-propoxyphenyl)boronic acid
CAS Number:
1107603-51-9
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD08701766
IUPAC Name:
(2-fluoro-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7/h3-4,6,12-13H,2,5H2,1H3
InChI Key:
TWMQLEDSDCTPRP-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)F)B(O)O
Properties
Complexity:
168
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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