Home Carboxys 1H-Indole-3-carboxylic acid, 4-fluoro-

1H-Indole-3-carboxylic acid, 4-fluoro-

CAS No.:
23077-42-1
Catalog Number:
AG002M5B
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
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Product Description
Catalog Number:
AG002M5B
Chemical Name:
1H-Indole-3-carboxylic acid, 4-fluoro-
CAS Number:
23077-42-1
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD09954941
IUPAC Name:
4-fluoro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6FNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
RDCCTSJRSSJAFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(F)ccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties