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3108-32-5 | 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-
CAS No: 3108-32-5 Catalog No: AG00322W MDL No:
Product Description
Catalog Number:
AG00322W
Chemical Name:
3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-
CAS Number:
3108-32-5
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
IUPAC Name:
1,1,1-trifluoro-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H7F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7H
InChI Key:
ADEYYFREIBSWFP-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C=Cc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Comparison of trifluoroacetyl monostyryl and distyryl dyes: effects of chromophore elongation on the spectral properties and chemical reactivity. | Journal of fluorescence 20060301 |
| Structure-antimutagenic activity relationships of benzalacetone derivatives against UV-induced mutagenesis in E. coli WP2uvrA and gamma-induced mutagenesis in Salmonella typhimurium TA2638. | Mutation research 20010301 |
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