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Home > Fluorides > 125996-99-8
125996-99-8 | 4-Penten-1-one, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 125996-99-8 Catalog No: AG000QNH MDL No:MFCD20290692
Product Description
Catalog Number:
AG000QNH
Chemical Name:
4-Penten-1-one, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
125996-99-8
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
MDL Number:
MFCD20290692
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]pent-4-en-1-one
InChI:
InChI=1S/C12H11F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,4-6,8H,1,3,7H2
InChI Key:
UCVAOVDXZWAFPR-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.214g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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