Home Other Building Blocks 1-CYCLOPROPYL-2-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE

1-CYCLOPROPYL-2-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE

CAS No.:
945226-93-7
Catalog Number:
AG01EJVG
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
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Product Description
Catalog Number:
AG01EJVG
Chemical Name:
1-CYCLOPROPYL-2-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE
CAS Number:
945226-93-7
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
MDL Number:
MFCD16819807
IUPAC Name:
1-cyclopropyl-2-[3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C12H11F3O/c13-12(14,15)10-3-1-2-8(6-10)7-11(16)9-4-5-9/h1-3,6,9H,4-5,7H2
InChI Key:
PEIRLSLNEUWXGV-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
268  
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:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties