What is the molecular formula of 4,4'-Bis(chloromethyl)-2,2'-bipyridyl?

The molecular formula is C12H10Cl2N2.

When was the structure of 4,4'-Bis(chloromethyl)-2,2'-bipyridyl created and last modified?

The structure was created on 2006-10-25 and last modified on 2023-12-30.

What is the InChIKey of 4,4'-Bis(chloromethyl)-2,2'-bipyridyl?

The InChIKey is VZKSOWFFOHQARA-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 4,4'-Bis(chloromethyl)-2,2'-bipyridyl have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of 4,4'-Bis(chloromethyl)-2,2'-bipyridyl?

The topological polar surface area is 25.8 Å².

What is the exact mass of 4,4'-Bis(chloromethyl)-2,2'-bipyridyl?

The exact mass is 252.0221037 g/mol.

How many rotatable bond counts does 4,4'-Bis(chloromethyl)-2,2'-bipyridyl have?

It has 3 rotatable bond counts.

Is 4,4'-Bis(chloromethyl)-2,2'-bipyridyl considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

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4,4'-Bis(chloromethyl)-2,2'-bipyridyl

Name: 4,4'-Bis(chloromethyl)-2,2'-bipyridyl
SKU: ACM138219984-1
Rating: 5 (1 reviews)

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Catalog NumberACM138219984-1

CAS Number138219-98-4

CategoryLigands for Functional Metal Complexes

Synonyms

4-(chloromethyl)-2-[4-(chloromethyl)pyridin-2-yl]pyridine

IUPAC Name

4-(chloromethyl)-2-[4-(chloromethyl)pyridin-2-yl]pyridine

Molecular Weight

253.12

Molecular Formula

C12H10Cl2N2

Canonical SMILES

C1=CN=C(C=C1CCl)C2=NC=CC(=C2)CCl

InChI

InChI=1S/C12H10Cl2N2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12/h1-6H,7-8H2

InChI Key

VZKSOWFFOHQARA-UHFFFAOYSA-N

Purity

98%+

Appearance

Powder or crystal

Complexity

191

Covalently-Bonded Unit Count

Exact Mass

252.022104g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

252.022104g/mol

Rotatable Bond Count

XLogP3

2.3

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