Dibromochloronitromethane

• CAS: 1184-89-0
• Catalog Number: ACM1184890
• Category: Drinking Water Disinfection Byproducts Standards
• Molecular Weight: 253.28
• Molecular Formula: CBr2ClNO2
• Synonyms: Methane, dibromochloronitro-
• IUPAC Name: dibromo-chloro-nitromethane
• Canonical SMILES: C([N+](=O)[O-])(Cl)(Br)Br
• InChI Key: TWDGXJVDOONOHS-UHFFFAOYSA-N
• Complexity: 88
• Defined Atom Stereocenter Count: 0
• Exact Mass: 252.7963
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 250.7984
• Physical State: Colourless Oil
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 45.8 Ų
• XLogP3-AA: 2.3