Home Other Building Blocks 4,4-difluoro-3-(2-fluorophenyl)butanoic acid

4,4-difluoro-3-(2-fluorophenyl)butanoic acid

CAS No.:
1897774-45-6
Catalog Number:
AG01EL17
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01EL17
Chemical Name:
4,4-difluoro-3-(2-fluorophenyl)butanoic acid
CAS Number:
1897774-45-6
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD31665389
IUPAC Name:
4,4-difluoro-3-(2-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H9F3O2/c11-8-4-2-1-3-6(8)7(10(12)13)5-9(14)15/h1-4,7,10H,5H2,(H,14,15)
InChI Key:
BAIUFYNMDGZBFB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1F)C(F)F
Properties
Complexity:
221  
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties