Home Other Building Blocks 5-phenyl-3-(trifluoromethyl)pentanoic acid

5-phenyl-3-(trifluoromethyl)pentanoic acid

CAS No.:
1536639-68-5
Catalog Number:
AG01EKMO
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
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Product Description
Catalog Number:
AG01EKMO
Chemical Name:
5-phenyl-3-(trifluoromethyl)pentanoic acid
CAS Number:
1536639-68-5
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD22085488
IUPAC Name:
5-phenyl-3-(trifluoromethyl)pentanoic acid
InChI:
InChI=1S/C12H13F3O2/c13-12(14,15)10(8-11(16)17)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)
InChI Key:
OXSNAYVYKOZOIQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)CCc1ccccc1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties