1,1,1-Trifluoro-6-phenylhex-5-ene-2,4-dione

• CAS: 18931-64-1
• Catalog Number: ACM18931641
• Category: Other Products
• Molecular Weight: 242.197g/mol
• Molecular Formula: C12H9F3O2
• Synonyms: DS-16908; MP-0805; 1,1,1-Trifluoro-6-phenylhex-5-(E)-ene-2,4-dione; SMSF0006195; Z4339; ST2414705; CB01500; AC1NSWQE; C12H9F3O2; 18931-64-1
• IUPAC Name: (E)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione
• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)CC(=O)C(F)(F)F
• InChI: InChI=1S/C12H9F3O2/c13-12(14,15)11(17)8-10(16)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
• InChI Key: CSOPVKUECMSWBR-VOTSOKGWSA-N
• Complexity: 312
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Exact Mass: 242.055g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 17
• Monoisotopic Mass: 242.055g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 34.1A^2