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Home > Boronic Acids > 168267-99-0
168267-99-0 | Boronic acid, B-(3-fluoro-4-methylphenyl)-
CAS No: 168267-99-0 Catalog No: AG001XYE MDL No:MFCD02683115
Product Description
Catalog Number:
AG001XYE
Chemical Name:
Boronic acid, B-(3-fluoro-4-methylphenyl)-
CAS Number:
168267-99-0
Molecular Formula:
C7H8BFO2
Molecular Weight:
153.9466
MDL Number:
MFCD02683115
IUPAC Name:
(3-fluoro-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key:
WPVBHUUZDFUIJA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)F)C)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.947g/mol
Monoisotopic Mass:
154.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Medicinal chemistry as a conduit for the modulation of quorum sensing. | Journal of medicinal chemistry 20101111 |
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