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1458665-08-1 | 2-Propanone, 1-(6-chloro-5-fluoro-1H-indol-3-yl)-
CAS No: 1458665-08-1 Catalog No: AG001DGX MDL No:
Product Description
Catalog Number:
AG001DGX
Chemical Name:
2-Propanone, 1-(6-chloro-5-fluoro-1H-indol-3-yl)-
CAS Number:
1458665-08-1
Molecular Formula:
C11H9ClFNO
Molecular Weight:
225.6467
IUPAC Name:
1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-one
InChI:
InChI=1S/C11H9ClFNO/c1-6(15)2-7-5-14-11-4-9(12)10(13)3-8(7)11/h3-5,14H,2H2,1H3
InChI Key:
VECSRFWOHMDQCJ-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1c[nH]c2c1cc(F)c(c2)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.647g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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