trans-2-Iodovinylboronic acid MIDA ester

• Catalog Number: ACM1260504684
• Product Name: trans-2-Iodovinylboronic acid MIDA ester
• CAS: 1260504-68-4
• Category: Boronic Acids
• IUPAC Name: 2-[(E)-2-iodoethenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
• Molecular Weight: 308.87g/mol
• Molecular Formula: C7H9BINO4
• Canonical SMILES: B1(OC(=O)CN(CC(=O)O1)C)C=CI
• InChI: InChI=1S/C7H9BINO4/c1-10-4-6(11)13-8(2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2+
• InChI Key: DVVPFXIZOZTSBN-NSCUHMNNSA-N
• Complexity: 250
• Covalently-Bonded Unit Count: 1
• Exact Mass: 308.96693g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 308.96693g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of trans-2-Iodovinylboronic acid MIDA ester?

The molecular formula of trans-2-Iodovinylboronic acid MIDA ester is C7H9BINO4.

What are the synonyms for trans-2-Iodovinylboronic acid MIDA ester?

The synonyms for trans-2-Iodovinylboronic acid MIDA ester are 1260504-68-4, SCHEMBL10083717, and A51260.

What is the molecular weight of trans-2-Iodovinylboronic acid MIDA ester?

The molecular weight of trans-2-Iodovinylboronic acid MIDA ester is 308.87 g/mol.

What is the IUPAC name of trans-2-Iodovinylboronic acid MIDA ester?

The IUPAC name of trans-2-Iodovinylboronic acid MIDA ester is 2-[(E)-2-iodoethenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione.

What is the InChI of trans-2-Iodovinylboronic acid MIDA ester?

The InChI of trans-2-Iodovinylboronic acid MIDA ester is InChI=1S/C7H9BINO4/c1-10-4-6(11)13-8(2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2+.

What is the InChIKey of trans-2-Iodovinylboronic acid MIDA ester?

The InChIKey of trans-2-Iodovinylboronic acid MIDA ester is DVVPFXIZOZTSBN-NSCUHMNNSA-N.

What is the canonical SMILES of trans-2-Iodovinylboronic acid MIDA ester?

The canonical SMILES of trans-2-Iodovinylboronic acid MIDA ester is B1(OC(=O)CN(CC(=O)O1)C)C=CI.

How many hydrogen bond donor counts does trans-2-Iodovinylboronic acid MIDA ester have?

Trans-2-Iodovinylboronic acid MIDA ester has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does trans-2-Iodovinylboronic acid MIDA ester have?

Trans-2-Iodovinylboronic acid MIDA ester has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does trans-2-Iodovinylboronic acid MIDA ester have?

Trans-2-Iodovinylboronic acid MIDA ester has 1 rotatable bond count.