CAS
223463-14-7 Purity
97%
223463-14-7 Purity
97%
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2-Chloro-4-formyl-3-methylphenylboronic acid
CAS
1451391-36-8
Catalog Number
ACM1451391368
Category
Boronic Acids
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What is the molecular formula of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The molecular formula of 2-Chloro-4-formyl-3-methylphenylboronic acid is C8H8BClO3.
What is the molecular weight of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The molecular weight of 2-Chloro-4-formyl-3-methylphenylboronic acid is 198.41 g/mol.
What is the IUPAC name of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The IUPAC name of 2-Chloro-4-formyl-3-methylphenylboronic acid is (2-chloro-4-formyl-3-methylphenyl)boronic acid.
What is the InChI of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The InChI of 2-Chloro-4-formyl-3-methylphenylboronic acid is InChI=1S/C8H8BClO3/c1-5-6(4-11)2-3-7(8(5)10)9(12)13/h2-4,12-13H,1H3.
What is the InChIKey of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The InChIKey of 2-Chloro-4-formyl-3-methylphenylboronic acid is XIEPSLHUTAEFTC-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Chloro-4-formyl-3-methylphenylboronic acid?
The canonical SMILES of 2-Chloro-4-formyl-3-methylphenylboronic acid is B(C1=C(C(=C(C=C1)C=O)C)Cl)(O)O.
How many hydrogen bond donor counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?
2-Chloro-4-formyl-3-methylphenylboronic acid has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?
2-Chloro-4-formyl-3-methylphenylboronic acid has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?
2-Chloro-4-formyl-3-methylphenylboronic acid has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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