4-Bromo-benzooxazole-2-carboxylic acid amide

• CAS: 954239-82-8
• Catalog Number: ACM954239828
• Category: Other Products
• Molecular Weight: 241.0437
• Molecular Formula: C8H5BrN2O2
• Synonyms: 954239-82-8, DB-080263, 4-Bromo-benzooxazole-2-carboxylic acid amide, 4-BROMO-BENZOOXAZOLE-2-CARBOXYLICACIDAMIDE
• IUPAC Name: 4-bromo-1,3-benzoxazole-2-carboxamide
• Canonical SMILES: C1=CC2=C(C(=C1)Br)N=C(O2)C(=O)N
• InChI Key: JJGRBARWZGIZLH-UHFFFAOYSA-N
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• MDL Number: MFCD09832209
• Size: 500mg,1g,5g

Custom Q&A

What is the molecular formula of 4-Bromo-benzooxazole-2-carboxylic acid amide?

The molecular formula is C8H5BrN2O2.

What is the synonym for 4-Bromo-benzooxazole-2-carboxylic acid amide?

One synonym is 4-Bromobenzo[d]oxazole-2-carboxamide.

What is the IUPAC name of 4-Bromo-benzooxazole-2-carboxylic acid amide?

The IUPAC name is 4-bromo-1,3-benzoxazole-2-carboxamide.

What is the InChI code for 4-Bromo-benzooxazole-2-carboxylic acid amide?

The InChI code is InChI=1S/C8H5BrN2O2/c9-4-2-1-3-5-6(4)11-8(13-5)7(10)12/h1-3H,(H2,10,12).

What is the InChIKey for 4-Bromo-benzooxazole-2-carboxylic acid amide?

The InChIKey is JJGRBARWZGIZLH-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Bromo-benzooxazole-2-carboxylic acid amide?

The canonical SMILES representation is C1=CC2=C(C(=C1)Br)N=C(O2)C(=O)N.

What is the molecular weight of 4-Bromo-benzooxazole-2-carboxylic acid amide?

The molecular weight is 241.04 g/mol.

What is the XLogP3-AA value of 4-Bromo-benzooxazole-2-carboxylic acid amide?

The XLogP3-AA value is 1.7.

How many hydrogen bond donor counts does 4-Bromo-benzooxazole-2-carboxylic acid amide have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Bromo-benzooxazole-2-carboxylic acid amide have?

It has 3 hydrogen bond acceptor counts.