2-(4-Nitrophenoxy)-5-bromopyrimidine

• CAS: 1185158-29-5
• Catalog Number: ACM1185158295
• Category: Bromine Series
• Molecular Weight: 296.076940 [g/mol]
• Molecular Formula: C₁₀H₆BrN₃O₃
• Synonyms: 5-Bromo-2-(4-nitrophenoxy)pyrimidine;2-(4-Nitrophenoxy)-5-bromopyrimidine
• IUPAC Name: 5-bromo-2-(4-nitrophenoxy)pyrimidine
• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=NC=C(C=N2)Br
• InChI Key: JNHTWWLXXMPNNQ-UHFFFAOYSA-N
• Exact Mass: 294.95900
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H6BrN3O3.

What are the synonyms for the compound?

The synonyms for the compound are 5-Bromo-2-(4-nitrophenoxy)pyrimidine and 1185158-29-5.

What is the molecular weight of the compound?

The molecular weight of the compound is 296.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-2-(4-nitrophenoxy)pyrimidine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H6BrN3O3/c11-7-5-12-10(13-6-7)17-9-3-1-8(2-4-9)14(15)16/h1-6H.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1[N+](=O)[O-])OC2=NC=C(C=N2)Br.

What is the XLogP3-AA of the compound?

The XLogP3-AA of the compound is 2.6.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.