Home Other Building Blocks 3-(2,6-difluorophenyl)-3-acetamidopropanoic acid

3-(2,6-difluorophenyl)-3-acetamidopropanoic acid

CAS No.:
1251923-30-4
Catalog Number:
AG01AA0R
Molecular Formula:
C11H11F2NO3
Molecular Weight:
243.2067
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Product Description
Catalog Number:
AG01AA0R
Chemical Name:
3-(2,6-difluorophenyl)-3-acetamidopropanoic acid
CAS Number:
1251923-30-4
Molecular Formula:
C11H11F2NO3
Molecular Weight:
243.2067
MDL Number:
MFCD16817517
IUPAC Name:
3-acetamido-3-(2,6-difluorophenyl)propanoic acid
InChI:
InChI=1S/C11H11F2NO3/c1-6(15)14-9(5-10(16)17)11-7(12)3-2-4-8(11)13/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChI Key:
ZTPAZNBUIRZBKL-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1c(F)cccc1F)NC(=O)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.21g/mol
Monoisotopic Mass:
243.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties