1-Bromo-2-nitrobenzene

• Catalog Number: ACM577195
• Product Name: 1-Bromo-2-nitrobenzene
• CAS: 577-19-5
• Category: Bromine Series
• IUPAC Name: 1-bromo-2-nitrobenzene
• Molecular Weight: 202.01g/mol
• Molecular Formula: C6H4BrNO2
• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br
• InChI: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
• InChI Key: ORPVVAKYSXQCJI-UHFFFAOYSA-N
• Boiling Point: 258.0 °C
• Melting Point: 43.0 °C
• Complexity: 134
• Covalently-Bonded Unit Count: 1
• EC Number: 209-409-0
• Exact Mass: 200.94254g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: 2.52 (LogP)
• Monoisotopic Mass: 200.94254g/mol
• NSC Number: 403836
• Rotatable Bond Count: 0
• XLogP3: 2.5