Benzo(b)chrysene

• CAS: 214-17-5
• Catalog Number: ACM214175
• Category: Other Products
• Molecular Weight: 278.3
• Molecular Formula: C22H14
• Synonyms: 2,3-Benzochrysene
• IUPAC Name: Benzo[b]chrysene
• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC=CC=C5C=C43
• InChI Key: YYGRIGYJXSQDQB-UHFFFAOYSA-N
• Boiling Point: 524.7ºC at 760 mmHg
• Flash Point: 264.5ºC
• Density: 1.232g/cm³
• Complexity: 399
• Defined Atom Stereocenter Count: 0
• EC Number: 205-919-2
• Exact Mass: 278.1095
• Formal Charge: 0
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 278.1095
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 6.5