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20870-90-0 | 2H-Indol-2-one, 5-bromo-1,3-dihydro-1-methyl-
CAS No: 20870-90-0 Catalog No: AG002JUM MDL No:MFCD00464061
Product Description
Catalog Number:
AG002JUM
Chemical Name:
2H-Indol-2-one, 5-bromo-1,3-dihydro-1-methyl-
CAS Number:
20870-90-0
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00464061
IUPAC Name:
5-bromo-1-methyl-3H-indol-2-one
InChI:
InChI=1S/C9H8BrNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChI Key:
WARSUKBSFLACOI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CC(=O)N2C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 5-Bromo-1-methyl-indolin-2-one. | Acta crystallographica. Section E, Structure reports online 20090701 |
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