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3,5-Dichloro-4-formylphenylboronic acid

CAS
1451393-36-4
Catalog Number
ACM1451393364
Category
Boronic Acids

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What is the molecular formula of 3,5-Dichloro-4-formylphenylboronic acid?

The molecular formula is C7H5BCl2O3.

What is the molecular weight of 3,5-Dichloro-4-formylphenylboronic acid?

The molecular weight is 218.83 g/mol.

What is the IUPAC name of 3,5-Dichloro-4-formylphenylboronic acid?

The IUPAC name is (3,5-dichloro-4-formylphenyl)boronic acid.

What is the InChI of 3,5-Dichloro-4-formylphenylboronic acid?

The InChI is InChI=1S/C7H5BCl2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H.

What is the InChIKey of 3,5-Dichloro-4-formylphenylboronic acid?

The InChIKey is ISQRJPAWYFKCBK-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Dichloro-4-formylphenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C(=C1)Cl)C=O)Cl)(O)O.

How many hydrogen bond donor count does 3,5-Dichloro-4-formylphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does 3,5-Dichloro-4-formylphenylboronic acid have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3,5-Dichloro-4-formylphenylboronic acid have?

It has 2 rotatable bond counts.

Is 3,5-Dichloro-4-formylphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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