Home Other Building Blocks 2-acetamido-3-(6-fluoro-1H-indol-3-yl)propanoic acid

2-acetamido-3-(6-fluoro-1H-indol-3-yl)propanoic acid

CAS No.:
81024-49-9
Catalog Number:
AG019TUM
Molecular Formula:
C13H13FN2O3
Molecular Weight:
264.2523
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Product Description
Catalog Number:
AG019TUM
Chemical Name:
2-acetamido-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CAS Number:
81024-49-9
Molecular Formula:
C13H13FN2O3
Molecular Weight:
264.2523
MDL Number:
MFCD09756726
IUPAC Name:
2-acetamido-3-(6-fluoro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13FN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)
InChI Key:
FOQOOWDYWORKME-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1ccc(c2)F
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
264.256g/mol
Monoisotopic Mass:
264.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties