Home Other Building Blocks 4-[3-(trifluoromethyl)phenyl]butanal

4-[3-(trifluoromethyl)phenyl]butanal

CAS No.:
1343365-32-1
Catalog Number:
AG01AC0X
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
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Product Description
Catalog Number:
AG01AC0X
Chemical Name:
4-[3-(trifluoromethyl)phenyl]butanal
CAS Number:
1343365-32-1
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD20336875
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]butanal
InChI:
InChI=1S/C11H11F3O/c12-11(13,14)10-6-3-5-9(8-10)4-1-2-7-15/h3,5-8H,1-2,4H2
InChI Key:
YCXBLQFXUDTRSR-UHFFFAOYSA-N
SMILES:
O=CCCCc1cccc(c1)C(F)(F)F
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties