Cas no 139582-54-0 (3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-)
139582-54-0 structure
Product Name:3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
CAS No:139582-54-0
MF:C16H9BrN2O2
MW:341.158862829208
CID:102136
PubChem ID:135466355
Update Time:2025-04-18
3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
- AKOS004909557
- DTXSID60694565
- MDW, C.I. Vat Blue 3, Indigo RN
- 139582-54-0
- 6-Bromo-[2,2'-biindolinylidene]-3,3'-dione
- 6-bromoindigo
- 6-bromo-2-(3-hydroxy-1H-indol-2-yl)indol-3-one
- 6-Bromo-2-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
- 6-Monobromoindigo
-
- Inchi： 1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)19-14(16(10)21)13-15(20)9-3-1-2-4-11(9)18-13/h1-7,18,20H
- InChI Key： GSRJMIPSKOUYBE-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)N=C(C2=O)C1=C(C2C=CC=CC=2N1)O
Computed Properties
- Exact Mass: 339.985
- Monoisotopic Mass: 339.985
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 530
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.4
- Topological Polar Surface Area: 65.4?2
3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- Related Literature
-
Robin J. H. Clark,Christopher J. Cooksey New J. Chem. 1999 23 323
139582-54-0 (3H-Indol-3-one,6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-) Related Products
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