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Home > Boronic Acids > 146631-00-7
146631-00-7 | (4-(Benzyloxy)phenyl)boronic acid
CAS No: 146631-00-7 Catalog No: AG007J31 MDL No:MFCD01075705
Product Description
Catalog Number:
AG007J31
Chemical Name:
(4-(Benzyloxy)phenyl)boronic acid
CAS Number:
146631-00-7
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD01075705
IUPAC Name:
(4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChI Key:
DMJHEIDWSIAXCS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCc1ccccc1)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^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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