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1260879-22-8 | 1H-Indole-5-carboxylic acid, 7-fluoro-2,3-dihydro-2-oxo-, methyl ester
CAS No: 1260879-22-8 Catalog No: AG000RIJ MDL No:
Product Description
Catalog Number:
AG000RIJ
Chemical Name:
1H-Indole-5-carboxylic acid, 7-fluoro-2,3-dihydro-2-oxo-, methyl ester
CAS Number:
1260879-22-8
Molecular Formula:
C10H8FNO3
Molecular Weight:
209.1738
IUPAC Name:
methyl 7-fluoro-2-oxo-1,3-dihydroindole-5-carboxylate
InChI:
InChI=1S/C10H8FNO3/c1-15-10(14)6-2-5-4-8(13)12-9(5)7(11)3-6/h2-3H,4H2,1H3,(H,12,13)
InChI Key:
JMPJBXYGMGJTPJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2CC(=O)Nc2c(c1)F
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.176g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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