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1260900-03-5 | 1H-Indene, 3-(2-chloroethyl)-6-fluoro-
CAS No: 1260900-03-5 Catalog No: AG000RLG MDL No:
Product Description
Catalog Number:
AG000RLG
Chemical Name:
1H-Indene, 3-(2-chloroethyl)-6-fluoro-
CAS Number:
1260900-03-5
Molecular Formula:
C11H10ClF
Molecular Weight:
196.6485
IUPAC Name:
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C25H26N2O2/c28-24(27-15-14-18-8-4-6-12-22(18)27)17-26-16-21(20-11-5-7-13-23(20)26)25(29)19-9-2-1-3-10-19/h4-8,11-13,16,19H,1-3,9-10,14-15,17H2
InChI Key:
SOVCVJUVHLGDKL-UHFFFAOYSA-N
SMILES:
ClCCC1=CCc2c1ccc(c2)F
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.199g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.495g/mol
Monoisotopic Mass:
386.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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