9,9-Dihexylfluorene-2,7-diboronic acid

CAS

203927-98-4

Catalog Number

ACM203927984-1

Category

Boronic Acids

Molecular Weight

422.2g/mol

Molecular Formula

C25H36B2O4

MSDS COA Spec Sheet

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Specification

IUPAC Name

(7-borono-9,9-dihexylfluoren-2-yl)boronic acid

Canonical SMILES

B(C1=CC2=C(C=C1)C3=C(C2(CCCCCC)CCCCCC)C=C(C=C3)B(O)O)(O)O

InChI

InChI=1S/C25H36B2O4/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26(28)29)11-13-21(23)22-14-12-20(27(30)31)18-24(22)25/h11-14,17-18,28-31H,3-10,15-16H2,1-2H3

InChI Key

QFWOJNOZWMHNTK-UHFFFAOYSA-N

Complexity

484

Covalently-Bonded Unit Count

Exact Mass

422.27997g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

422.27997g/mol

Rotatable Bond Count

What is the molecular formula of 9,9-Dihexylfluorene-2,7-diboronic acid?

The molecular formula is C25H36B2O4.

When was 9,9-Dihexylfluorene-2,7-diboronic acid created?

It was created on September 15, 2005.

What is the IUPAC name of 9,9-Dihexylfluorene-2,7-diboronic acid?

The IUPAC name is (7-borono-9,9-dihexylfluoren-2-yl)boronic acid.

What is the InChI of 9,9-Dihexylfluorene-2,7-diboronic acid?

The InChI is InChI=1S/C25H36B2O4/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26(28)29)11-13-21(23)22-14-12-20(27(30)31)18-24(22)25/h11-14,17-18,28-31H,3-10,15-16H2,1-2H3.

What is the InChIKey of 9,9-Dihexylfluorene-2,7-diboronic acid?

The InChIKey is QFWOJNOZWMHNTK-UHFFFAOYSA-N.

What is the Canonical SMILES of 9,9-Dihexylfluorene-2,7-diboronic acid?

The Canonical SMILES is B(C1=CC2=C(C=C1)C3=C(C2(CCCCCC)CCCCCC)C=C(C=C3)B(O)O)(O)O.

How many hydrogen bond donor counts are there in 9,9-Dihexylfluorene-2,7-diboronic acid?

There are 4 hydrogen bond donor counts.

What is the exact mass of 9,9-Dihexylfluorene-2,7-diboronic acid?

The exact mass is 422.2799700 g/mol.

How many rotatable bond counts are there in 9,9-Dihexylfluorene-2,7-diboronic acid?

There are 12 rotatable bond counts.

Is 9,9-Dihexylfluorene-2,7-diboronic acid a canonicalized compound?

Yes, the compound is canonicalized.