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Structure

Benzene,1-bromo-4-(methylsulfinyl)-

CAS
934-71-4
Catalog Number
ACM934714
Category
Other Products
Molecular Weight
388.11748
Molecular Formula
C7H7BrOS

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What is the molecular formula of Benzene, 1-bromo-4-(methylsulfinyl)?

The molecular formula is C7H7BrOS.

What is the molecular weight of Benzene, 1-bromo-4-(methylsulfinyl)?

The molecular weight is 219.10 g/mol.

What is the IUPAC Name of Benzene, 1-bromo-4-(methylsulfinyl)?

The IUPAC name is 1-bromo-4-methylsulfinylbenzene.

What is the InChIKey of Benzene, 1-bromo-4-(methylsulfinyl)?

The InChIKey is MPOPDYTWAYBUOD-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does Benzene, 1-bromo-4-(methylsulfinyl) have?

It has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of Benzene, 1-bromo-4-(methylsulfinyl)?

The topological polar surface area is 36.3 Ų.

Is Benzene, 1-bromo-4-(methylsulfinyl) a canonical compound?

Yes, the compound is canonicalized.

What is the exact mass of Benzene, 1-bromo-4-(methylsulfinyl)?

The exact mass is 217.94010 g/mol.

How many covalently bonded units are in Benzene, 1-bromo-4-(methylsulfinyl)?

There is 1 covalently bonded unit.

What is the complexity value of Benzene, 1-bromo-4-(methylsulfinyl)?

The complexity value is 130.

Upstream Synthesis Route 1

  • 104-95-0
  • 934-71-4

Reference: [1]Lion, Claude; Da Conceicao, Louis; Hecquet, Gerard; Pralus, Christian; Schirmann, Jean-Pierre; Requieme, Benoit
[Phosphorus, Sulfur and Silicon and the Related Elements, 2004, vol. 179, # 6, p. 1131 - 1152]

Downstream Synthesis Route 1

  • 934-71-4
  • 104-95-0

Reference: [1]Location in patent: experimental part
Oh, Kyungsoo; Knabe, William Eric
[Tetrahedron, 2009, vol. 65, # 15, p. 2966 - 2974]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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