Home Other Building Blocks 2,2-difluoro-3-(2-methyl-1H-indol-3-yl)propanoic acid

2,2-difluoro-3-(2-methyl-1H-indol-3-yl)propanoic acid

CAS No.:
1889024-64-9
Catalog Number:
AG01EKPZ
Molecular Formula:
C12H11F2NO2
Molecular Weight:
239.2180
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Product Description
Catalog Number:
AG01EKPZ
Chemical Name:
2,2-difluoro-3-(2-methyl-1H-indol-3-yl)propanoic acid
CAS Number:
1889024-64-9
Molecular Formula:
C12H11F2NO2
Molecular Weight:
239.2180
MDL Number:
MFCD31559721
IUPAC Name:
2,2-difluoro-3-(2-methyl-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H11F2NO2/c1-7-9(6-12(13,14)11(16)17)8-4-2-3-5-10(8)15-7/h2-5,15H,6H2,1H3,(H,16,17)
InChI Key:
NRKNZSABTJKKAG-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c(C)[nH]c2c1cccc2)(F)F
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.076g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.222g/mol
Monoisotopic Mass:
239.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties