3,4-Bis(trifluoromethyl)acetophenone - CAS 129604-25-7
Catalog: |
BB055160 |
Product Name: |
3,4-Bis(trifluoromethyl)acetophenone |
CAS: |
129604-25-7 |
Synonyms: |
1-[3,4-Bis(trifluoromethyl)phenyl]ethan-1-one; 1-[3,4-BIS(TRIFLUOROMETHYL)PHENYL]ETHANONE |
IUPAC Name: | 1-[3,4-bis(trifluoromethyl)phenyl]ethanone |
Molecular Weight: | 256.14 |
Molecular Formula: | C10H6F6O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C10H6F6O/c1-5(17)6-2-3-7(9(11,12)13)8(4-6)10(14,15)16/h2-4H,1H3 |
InChI Key: | BBNWVBMFEWTMHU-UHFFFAOYSA-N |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.03228378 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.03228378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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