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163083-11-2 | 4H-Indol-4-one, 1-(4-chlorophenyl)-1,5,6,7-tetrahydro-2,6,6-trimethyl-
CAS No: 163083-11-2 Catalog No: AG001TOU MDL No:
Product Description
Catalog Number:
AG001TOU
Chemical Name:
4H-Indol-4-one, 1-(4-chlorophenyl)-1,5,6,7-tetrahydro-2,6,6-trimethyl-
CAS Number:
163083-11-2
Molecular Formula:
C17H18ClNO
Molecular Weight:
287.7839
IUPAC Name:
1-(4-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C17H18ClNO/c1-11-8-14-15(9-17(2,3)10-16(14)20)19(11)13-6-4-12(18)5-7-13/h4-8H,9-10H2,1-3H3
InChI Key:
CTXBIEWMRWEGOR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(C)cc2c1CC(C)(C)CC2=O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.787g/mol
Monoisotopic Mass:
287.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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