Home Other Building Blocks 1-[3-(TRIFLUOROMETHYL)PHENYL]BUT-3-EN-1-ONE

1-[3-(TRIFLUOROMETHYL)PHENYL]BUT-3-EN-1-ONE

CAS No.:
1249647-02-6
Catalog Number:
AG01EM1C
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
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Product Description
Catalog Number:
AG01EM1C
Chemical Name:
1-[3-(TRIFLUOROMETHYL)PHENYL]BUT-3-EN-1-ONE
CAS Number:
1249647-02-6
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
MDL Number:
MFCD14653097
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]but-3-en-1-one
InChI:
InChI=1S/C11H9F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-3,5-7H,1,4H2
InChI Key:
DBHAGMOBZZTSLT-UHFFFAOYSA-N
SMILES:
C=CCC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.187g/mol
Monoisotopic Mass:
214.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties