5-(2-Bromo-phenyl)-2H-tetrazole

• CAS: 73096-42-1
• Catalog Number: ACM73096421
• Category: Other
• Molecular Weight: 225.0473
• Molecular Formula: C7H5BrN4
• IUPAC Name: 5-(2-bromophenyl)-2H-tetrazole
• Canonical SMILES: C1=CC=C(C(=C1)C2=NNN=N2)Br
• InChI: InChI=1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
• InChI Key: YHVBXKTXLJTDRI-UHFFFAOYSA-N
• Complexity: 154
• Covalently-Bonded Unit Count: 1
• Exact Mass: 223.96976g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 12
• MDL Number: MFCD06739096
• Monoisotopic Mass: 223.96976g/mol
• Rotatable Bond Count: 1
• Size: 5g,25g
• XLogP3: 1.8