5-Bromoquinazoline

• CAS: 958452-00-1
• Catalog Number: ACM958452001
• Category: Bromine Series
• Molecular Weight: 209.04g/mol
• Molecular Formula: C8H5BrN2
• Synonyms: 5-Bromo-quinazoline
• IUPAC Name: 5-bromoquinazoline
• Canonical SMILES: C1=CC2=NC=NC=C2C(=C1)Br
• InChI: InChI=1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H
• InChI Key: IAQNFOPKXLQOLR-UHFFFAOYSA-N
• Complexity: 140
• Covalently-Bonded Unit Count: 1
• Exact Mass: 207.96361g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 207.96361g/mol
• Rotatable Bond Count: 0
• XLogP3: 2.2

Custom Q&A

What is the molecular formula of 5-Bromoquinazoline?

The molecular formula of 5-Bromoquinazoline is C8H5BrN2.

What is the molecular weight of 5-Bromoquinazoline?

The molecular weight of 5-Bromoquinazoline is 209.04 g/mol.

What is the IUPAC name of 5-Bromoquinazoline?

The IUPAC name of 5-Bromoquinazoline is 5-bromoquinazoline.

What is the InChI of 5-Bromoquinazoline?

The InChI of 5-Bromoquinazoline is InChI=1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H.

What is the InChIKey of 5-Bromoquinazoline?

The InChIKey of 5-Bromoquinazoline is IAQNFOPKXLQOLR-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromoquinazoline?

The canonical SMILES of 5-Bromoquinazoline is C1=CC2=NC=NC=C2C(=C1)Br.

What is the CAS number of 5-Bromoquinazoline?

The CAS number of 5-Bromoquinazoline is 958452-00-1.

What is the XLogP3-AA value of 5-Bromoquinazoline?

The XLogP3-AA value of 5-Bromoquinazoline is 2.2.

What is the hydrogen bond donor count of 5-Bromoquinazoline?

The hydrogen bond donor count of 5-Bromoquinazoline is 0.

Is 5-Bromoquinazoline a canonicalized compound?

Yes, 5-Bromoquinazoline is a canonicalized compound.