Home Carboxys 6-fluoro-3-methyl-1H-indole-2-carboxylic acid

6-fluoro-3-methyl-1H-indole-2-carboxylic acid

CAS No.:
1275614-81-7
Catalog Number:
AG01DV69
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
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Product Description
Catalog Number:
AG01DV69
Chemical Name:
6-fluoro-3-methyl-1H-indole-2-carboxylic acid
CAS Number:
1275614-81-7
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD20229236
IUPAC Name:
6-fluoro-3-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8FNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
JGKANEPHGWFOOH-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c(c2C)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Radical-mediated enzymatic carbon chain fragmentation-recombination. Nature chemical biology 20110301
Properties