4-Bromo-5-(trifluoromethoxy)-1,2-phenylenediamine

• Catalog Number: ACMA00002585
• Category: Ethers
• Molecular Weight: 271.03
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 26985379?

The molecular formula is C7H6BrF3N2O.

When was this compound first created and last modified?

It was first created on May 28, 2009, and last modified on November 25, 2023.

What is the IUPAC Name of the compound?

The IUPAC Name is 4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=C(C(=CC(=C1OC(F)(F)F)Br)N)N.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.4.

How many hydrogen bond acceptor counts are there in the compound?

There are 6 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 61.3Ų.

How many defined bond stereocenter counts are there in the compound?

There are 0 defined bond stereocenter counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.