Home Carboxys 1H-Indole-3-carboxylic acid, 6-fluoro-

1H-Indole-3-carboxylic acid, 6-fluoro-

CAS No.:
23077-44-3
Catalog Number:
AG002M59
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
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Product Description
Catalog Number:
AG002M59
Chemical Name:
1H-Indole-3-carboxylic acid, 6-fluoro-
CAS Number:
23077-44-3
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD06203359
IUPAC Name:
6-fluoro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6FNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChI Key:
ITDFSNLFIZWJDB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]cc2C(=O)O
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:
2.1  
Properties