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1451392-99-6 Purity
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1451392-99-6 Purity
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2-Bromo-6-chloro-3-methylphenylboronic acid
CAS
1309980-97-9
Catalog Number
ACM1309980979
Category
Boronic Acids
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What is the molecular formula of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The molecular formula is C7H7BBrClO2.
What is the molecular weight of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The molecular weight is 249.30 g/mol.
What is the IUPAC name of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The IUPAC name is (2-bromo-6-chloro-3-methylphenyl)boronic acid.
What is the InChI of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The InChI is InChI=1S/C7H7BBrClO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3.
What is the InChIKey of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The InChIKey is FNGFBBSYYMTENN-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The canonical SMILES is B(C1=C(C=CC(=C1Br)C)Cl)(O)O.
What is the hydrogen bond donor count of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The hydrogen bond acceptor count is 2.
How many rotatable bonds are in 2-Bromo-6-chloro-3-methylphenylboronic acid?
There is 1 rotatable bond in 2-Bromo-6-chloro-3-methylphenylboronic acid.
What is the topological polar surface area of 2-Bromo-6-chloro-3-methylphenylboronic acid?
The topological polar surface area is 40.5 Ų.
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