1-Bromo-3-(difluoromethoxy)benzene

• CAS: 262587-05-3
• Catalog Number: ACM262587053
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 1-Bromo-3-(difluoromethoxy)benzene?

The molecular formula of 1-Bromo-3-(difluoromethoxy)benzene is C7H5BrF2O.

When was 1-Bromo-3-(difluoromethoxy)benzene created in the database?

1-Bromo-3-(difluoromethoxy)benzene was created in the database on July 19, 2005.

What is the InChIKey of 1-Bromo-3-(difluoromethoxy)benzene?

The InChIKey of 1-Bromo-3-(difluoromethoxy)benzene is NWBDGKNKAFGQQL-UHFFFAOYSA-N.

What is the exact mass of 1-Bromo-3-(difluoromethoxy)benzene?

The exact mass of 1-Bromo-3-(difluoromethoxy)benzene is 221.94918 g/mol.

How many hydrogen bond donors are present in 1-Bromo-3-(difluoromethoxy)benzene?

1-Bromo-3-(difluoromethoxy)benzene has 0 hydrogen bond donors.

Is 1-Bromo-3-(difluoromethoxy)benzene a canonicalized compound?

Yes, 1-Bromo-3-(difluoromethoxy)benzene is a canonicalized compound.

What is the topological polar surface area of 1-Bromo-3-(difluoromethoxy)benzene?

The topological polar surface area of 1-Bromo-3-(difluoromethoxy)benzene is 9.2 Ų.

How many defined atom stereocenter counts does 1-Bromo-3-(difluoromethoxy)benzene have?

1-Bromo-3-(difluoromethoxy)benzene has 0 defined atom stereocenter counts.

What is the monoisotopic mass of 1-Bromo-3-(difluoromethoxy)benzene?

The monoisotopic mass of 1-Bromo-3-(difluoromethoxy)benzene is 221.94918 g/mol.

How many rotatable bond counts are present in 1-Bromo-3-(difluoromethoxy)benzene?

1-Bromo-3-(difluoromethoxy)benzene has 2 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 591-20-8
• 1895-39-2

• 262587-05-3

Reference: [1] Patent: WO2010/45258, 2010, A2, . Location in patent: Page/Page column 179; 180

Upstream Synthesis Route 2

• 1432474-19-5

• 262587-05-3

Reference: [1] Organic Letters, 2016, vol. 18, # 18, p. 4570 - 4573
[2] Angewandte Chemie - International Edition, 2012, vol. 51, # 43, p. 10804 - 10807[3] Angewandte Chemie, 2012, vol. 124, # 43, p. 10962 - 10965

Upstream Synthesis Route 3

• 1435486-10-4

• 262587-05-3

Reference: [1] Angewandte Chemie - International Edition, 2012, vol. 51, # 43, p. 10804 - 10807[2] Angewandte Chemie, 2012, vol. 124, # 43, p. 10962 - 10965
[3] Organic Letters, 2016, vol. 18, # 18, p. 4570 - 4573

Upstream Synthesis Route 4

• 591-20-8
• 1895-39-2

• 262587-05-3

Reference: [1]Patent: WO2010/45258,2010,A2 .Location in patent: Page/Page column 179; 180

Downstream Synthesis Route 1

• 57260-71-6
• 262587-05-3

• 756752-48-4

Reference: [1]Patent: US2005/14765,2005,A1 .Location in patent: Page/Page column 13-14

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