200,000+ products from a single source!
sales@angenechem.com
139582-54-0 | 3H-Indol-3-one, 6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
CAS No: 139582-54-0 Catalog No: AG001BBO MDL No:
Product Description
Catalog Number:
AG001BBO
Chemical Name:
3H-Indol-3-one, 6-bromo-2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
CAS Number:
139582-54-0
Molecular Formula:
C16H9BrN2O2
Molecular Weight:
341.1589
IUPAC Name:
6-bromo-2-(3-hydroxy-1H-indol-2-yl)indol-3-one
InChI:
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:
Brc1ccc2c(c1)NC(=C1Nc3c(C1=O)cccc3)C2=O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.985g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.164g/mol
Monoisotopic Mass:
339.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 6-bromoindigo dye. | Acta crystallographica. Section C, Crystal structure communications 20120401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.