2-Chloro-3,5-dimethoxyaniline

• CAS: 120758-03-4
• Catalog Number: ACM120758034
• Category: Other Products
• Molecular Weight: 0
• Synonyms: 2-Chloro-3,5-dimethoxyaniline

Custom Q&A

What is the molecular formula of 2-Chloro-3,5-dimethoxyaniline?

The molecular formula of 2-Chloro-3,5-dimethoxyaniline is C8H10ClNO2.

When was 2-Chloro-3,5-dimethoxyaniline created in PubChem?

2-Chloro-3,5-dimethoxyaniline was created in PubChem on December 5, 2007.

What is the molecular weight of 2-Chloro-3,5-dimethoxyaniline?

The molecular weight of 2-Chloro-3,5-dimethoxyaniline is 187.62 g/mol.

What is the Canonical SMILES representation of 2-Chloro-3,5-dimethoxyaniline?

The Canonical SMILES representation of 2-Chloro-3,5-dimethoxyaniline is COC1=CC(=C(C(=C1)OC)Cl)N.

How many hydrogen bond donor counts does 2-Chloro-3,5-dimethoxyaniline have?

2-Chloro-3,5-dimethoxyaniline has 1 hydrogen bond donor count.

What is the exact mass of 2-Chloro-3,5-dimethoxyaniline?

The exact mass of 2-Chloro-3,5-dimethoxyaniline is 187.0400063 g/mol.

What is the topological polar surface area of 2-Chloro-3,5-dimethoxyaniline?

The topological polar surface area of 2-Chloro-3,5-dimethoxyaniline is 44.5 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many heavy atoms are present in 2-Chloro-3,5-dimethoxyaniline?

2-Chloro-3,5-dimethoxyaniline has 12 heavy atoms.

What is the formal charge of 2-Chloro-3,5-dimethoxyaniline?

The formal charge of 2-Chloro-3,5-dimethoxyaniline is 0.

Synthetic Use

Upstream Synthesis Route 1

• 573704-48-0

• 120758-03-4

Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7066 - 7083
[2] Patent: WO2011/135376, 2011, A1, . Location in patent: Page/Page column 212
[3] Patent: WO2015/57938, 2015, A1, . Location in patent: Page/Page column 89-90
[4] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 10, p. 2777 - 2779
[5] Patent: WO2014/144737, 2014, A1, . Location in patent: Paragraph 00521

Upstream Synthesis Route 2

• 10272-07-8

• 120758-03-4

Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 20, p. 7066 - 7083
[2] Patent: WO2011/135376, 2011, A1,
[3] Patent: WO2014/144737, 2014, A1,
[4] Patent: WO2015/39172, 2015, A1, . Location in patent: Page/Page column 57
[5] Patent: WO2015/57938, 2015, A1,

Upstream Synthesis Route 3

• 251372-14-2

• 120758-03-4

Reference: [1] Patent: US2004/44012, 2004, A1,