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121626-40-2 | 1H-Indole-3-carboxylic acid, 1-(4-fluorophenyl)-4,5,6,7-tetrahydro-4-oxo-
CAS No: 121626-40-2 Catalog No: AG0015FY MDL No:
Product Description
Catalog Number:
AG0015FY
Chemical Name:
1H-Indole-3-carboxylic acid, 1-(4-fluorophenyl)-4,5,6,7-tetrahydro-4-oxo-
CAS Number:
121626-40-2
Molecular Formula:
C15H12FNO3
Molecular Weight:
273.2591
IUPAC Name:
1-(4-fluorophenyl)-4-oxo-6,7-dihydro-5H-indole-3-carboxylic acid
InChI:
InChI=1S/C15H12FNO3/c16-9-4-6-10(7-5-9)17-8-11(15(19)20)14-12(17)2-1-3-13(14)18/h4-8H,1-3H2,(H,19,20)
InChI Key:
CIMQVWFSCIWZRJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1cc(c2c1CCCC2=O)C(=O)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.263g/mol
Monoisotopic Mass:
273.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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