sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-

1H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-

CAS No.:
16381-46-7
Catalog Number:
AG001UEU
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001UEU
Chemical Name:
1H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-
CAS Number:
16381-46-7
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD06011078
IUPAC Name:
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
XNWVWEWWPNKNJX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(C)c([nH]2)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