General Information of the Compound
| Compound ID |
CP0076286
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| Compound Name |
(4-methylphenyl)boronic acid
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| Synonyms |
(4-Methylphenyl)Boranediol
(4-methylphenyl)boronic acid
4-Methyl Phenyl Boronic Acid
4-Methylbenzeneboronic acid
4-Methylphenylboric acid
4-Methylphenylboronic acid
4-Tolylboronic acid
4-methylphenyl boronic acid
5720-05-8
917814-66-5
BIWQNIMLAISTBV-UHFFFAOYSA-N
Boronic acid, (4-methylphenyl)-
Boronic acid, p-tolyl-
CHEMBL140780
NSC 62870
P-tolylboronic acid
Tolyl boronic acid
UNII-YJM4GM7K66
YJM4GM7K66
p-Methylbenzeneboronic acid
p-Methylborophenylic acid
p-Tolueneboronic acid
p-Tolylboronic acid
p-methylphenylboronic acid
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| Structure |
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| Formula |
C7H9BO2
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| Molecular Weight |
135.959
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| Canonical SMILES |
Cc1ccc(cc1)B(O)O
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| InChI |
InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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| InChIKey |
BIWQNIMLAISTBV-UHFFFAOYSA-N
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| CAS |
5720-05-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound