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Home > Boronic Acids > 71597-85-8
71597-85-8 | 4-Hydroxyphenylboronic acid
CAS No: 71597-85-8 Catalog No: AG00342G MDL No:MFCD01074628
Product Description
Catalog Number:
AG00342G
Chemical Name:
4-Hydroxyphenylboronic acid
CAS Number:
71597-85-8
Molecular Formula:
C6H7BO3
Molecular Weight:
137.9290
MDL Number:
MFCD01074628
IUPAC Name:
(4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
InChI Key:
COIQUVGFTILYGA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)B(O)O
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
137.929g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds. | Bioorganic & medicinal chemistry 20100915 |
| Small molecules showing significant protection of mice against botulinum neurotoxin serotype A. | PloS one 20100101 |
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