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113577-95-0 | 1H-Indole-2,3-dione, 1-(2-bromoethyl)-5-methyl-
CAS No: 113577-95-0 Catalog No: AG000912 MDL No:
Product Description
Catalog Number:
AG000912
Chemical Name:
1H-Indole-2,3-dione, 1-(2-bromoethyl)-5-methyl-
CAS Number:
113577-95-0
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
1-(2-bromoethyl)-5-methylindole-2,3-dione
InChI:
InChI=1S/C11H10BrNO2/c1-7-2-3-9-8(6-7)10(14)11(15)13(9)5-4-12/h2-3,6H,4-5H2,1H3
InChI Key:
ZJUGLXLHONECCN-UHFFFAOYSA-N
SMILES:
BrCCN1C(=O)C(=O)c2c1ccc(c2)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 5-Methyl-3,3-bis-(morpholin-4-yl)-1-[2-(morpholin-4-yl)eth-yl]-2,3-dihydro-1H-indol-2-one. | Acta crystallographica. Section E, Structure reports online 20120301 |
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