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Home > Boronic Acids > 1010097-72-9
1010097-72-9 | Boronic acid, B-(3-fluoro-2-propoxyphenyl)-
CAS No: 1010097-72-9 Catalog No: AG0003HL MDL No:
Product Description
Catalog Number:
AG0003HL
Chemical Name:
Boronic acid, B-(3-fluoro-2-propoxyphenyl)-
CAS Number:
1010097-72-9
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
IUPAC Name:
3-fluoro-2-propoxybenzoic acid
InChI:
InChI=1S/C10H11FO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5H,2,6H2,1H3,(H,12,13)
InChI Key:
WFVQZKGCRDLDBX-UHFFFAOYSA-N
SMILES:
CCCOc1c(F)cccc1B(O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.193g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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