Home Other Building Blocks Methyl 2-(5-fluoro-1h-indol-3-yl)-2-oxoacetate

Methyl 2-(5-fluoro-1h-indol-3-yl)-2-oxoacetate

CAS No.:
408356-39-8
Catalog Number:
AG00C5O6
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
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Product Description
Catalog Number:
AG00C5O6
Chemical Name:
Methyl 2-(5-fluoro-1h-indol-3-yl)-2-oxoacetate
CAS Number:
408356-39-8
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
MDL Number:
MFCD08445356
IUPAC Name:
methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C11H8FNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key:
YMYPFEWHMRWVDP-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1c[nH]c2c1cc(F)cc2
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate. Acta crystallographica. Section E, Structure reports online 20100101
Properties