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2058-72-2 | 1H-Indole-2,3-dione, 5-bromo-1-methyl-
CAS No: 2058-72-2 Catalog No: AG002ADI MDL No:MFCD00456313
Product Description
Catalog Number:
AG002ADI
Chemical Name:
1H-Indole-2,3-dione, 5-bromo-1-methyl-
CAS Number:
2058-72-2
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00456313
IUPAC Name:
5-bromo-1-methylindole-2,3-dione
InChI:
InChI=1S/C9H6BrNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChI Key:
GEEDYJPPYNIZLX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(=O)N2C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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