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Home > Boronic Acids > 721401-43-0
721401-43-0 | Isoquinolin-8-ylboronic acid
CAS No: 721401-43-0 Catalog No: AG0038HD MDL No:MFCD11044913
Product Description
Catalog Number:
AG0038HD
Chemical Name:
Isoquinolin-8-ylboronic acid
CAS Number:
721401-43-0
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD11044913
IUPAC Name:
isoquinolin-8-ylboronic acid
InChI:
InChI=1S/C9H8BNO2/c12-10(13)9-3-1-2-7-4-5-11-6-8(7)9/h1-6,12-13H
InChI Key:
RKCMKNFWHLIGSF-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1cncc2)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:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.978g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Probing the general time scale question of boronic acid binding with sugars in aqueous solution at physiological pH. | Bioorganic & medicinal chemistry 20120501 |
| A new class of fluorescent boronic acids that have extraordinarily high affinities for diols in aqueous solution at physiological pH. | Chemistry (Weinheim an der Bergstrasse, Germany) 20101203 |
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