2-[(4-Chlorosulfonyl)phenyl]pyrimidine

CAS

912569-53-0

Catalog Number

ACM912569530

Category

Other Products

Molecular Weight

254.696

Molecular Formula

C₁₀H₇ClN₂O₂S

MSDS COA Spec Sheet

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Specification

Synonyms

2-[(4-Chlorosulfonyl)phenyl]pyrimidine;4-Pyrimidin-2-ylbenzenesulfonyl chloride

IUPAC Name

4-pyrimidin-2-ylbenzenesulfonyl chloride

Canonical SMILES

C1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI Key

BPLYUKDYQDTCTE-UHFFFAOYSA-N

Boiling Point

310.7ºC at 760 mmHg

Melting Point

159.5-161.5ºC

Flash Point

141.7ºC

Density

1.432g/cm³

Exact Mass

253.99200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C10H7ClN2O2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 254.69 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-pyrimidin-2-ylbenzenesulfonyl chloride.

What is the InChIKey of the compound?

The InChIKey of the compound is BPLYUKDYQDTCTE-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in the compound?

There are 4 hydrogen bond acceptors present in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 68.3 Å2.

Does the compound have a formal charge?

The compound has a formal charge of 0.

How many rotatable bond counts are present in the compound?

There are 2 rotatable bond counts present in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound last modified?

The compound was last modified on December 30, 2023.

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