Home Other Building Blocks 2-(2,4-difluorophenoxy)-3-methylbutanoic acid

2-(2,4-difluorophenoxy)-3-methylbutanoic acid

CAS No.:
1016734-04-5
Catalog Number:
AG019WHO
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
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Product Description
Catalog Number:
AG019WHO
Chemical Name:
2-(2,4-difluorophenoxy)-3-methylbutanoic acid
CAS Number:
1016734-04-5
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
MDL Number:
MFCD09816529
IUPAC Name:
2-(2,4-difluorophenoxy)-3-methylbutanoic acid
InChI:
InChI=1S/C11H12F2O3/c1-6(2)10(11(14)15)16-9-4-3-7(12)5-8(9)13/h3-6,10H,1-2H3,(H,14,15)
InChI Key:
DTOPCFJHOIYCNF-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)Oc1ccc(cc1F)F)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.211g/mol
Monoisotopic Mass:
230.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties