Home Other Building Blocks 2-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

2-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

CAS No.:
68718-08-1
Catalog Number:
AG01DWLH
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01DWLH
Chemical Name:
2-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
CAS Number:
68718-08-1
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD11036891
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H9F3O2/c1-6(9(14)15)7-3-2-4-8(5-7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChI Key:
JUQMRSYCLKEWAV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties