CAS
937662-73-2 Purity
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937662-73-2 Purity
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7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione
CAS
937664-94-3
Catalog Number
ACM937664943
Category
Other Products
Molecular Weight
268.106600 [g/mol]
Molecular Formula
C11H10BrNO2
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Specification
Synonyms
937664-94-3, 7-BROMO-1-ETHYL-5-METHYL-1H-INDOLE-2,3-DIONE, Ambcb4027073, AGN-PC-026DDH, CTK5H2955, MolPort-000-880-363, ZINC19092081, AKOS002667193, AG-H-83081, AK121310, 7-bromo-1-ethyl-5-methylindole-2,3-dione, 7-Bromo-1-ethyl-5-methylindoline-2,3-dione
IUPAC Name
7-bromo-1-ethyl-5-methylindole-2,3-dione
Canonical SMILES
CCN1C2=C(C=C(C=C2C(=O)C1=O)C)Br
InChI Key
YZOKQXZKPAIFCT-UHFFFAOYSA-N
Boiling Point
385.289ºC at 760 mmHg
Flash Point
186.816ºC
Density
1.553g/cm³
Exact Mass
266.98900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The molecular formula is C11H10BrNO2.
When was the substance 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione created and modified in PubChem?
It was created on 2007-12-04 and modified on 2023-12-30.
What is the IUPAC name of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The IUPAC name is 7-bromo-1-ethyl-5-methylindole-2,3-dione.
What is the InChI of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The InChI is InChI=1S/C11H10BrNO2/c1-3-13-9-7(10(14)11(13)15)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3.
What is the InChIKey of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The InChIKey is YZOKQXZKPAIFCT-UHFFFAOYSA-N.
What is the canonical SMILES representation of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The canonical SMILES is CCN1C2=C(C=C(C=C2Br)C)C(=O)C1=O.
What is the molecular weight of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The molecular weight is 268.11 g/mol.
How many hydrogen bond donor counts does 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione?
The topological polar surface area is 37.4 Å^2.
Is 7-Bromo-1-ethyl-5-methyl-1H-indole-2,3-dione a canonical compound?
Yes, it is.
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