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129833-54-1 | 1H-Indole-2,3-dione, 6-bromo-7-methyl-
CAS No: 129833-54-1 Catalog No: AG000TQH MDL No:MFCD16658692
Product Description
Catalog Number:
AG000TQH
Chemical Name:
1H-Indole-2,3-dione, 6-bromo-7-methyl-
CAS Number:
129833-54-1
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD16658692
IUPAC Name:
6-bromo-7-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6BrNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChI Key:
GTMRDSCDZYHHFY-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1ccc(c2C)Br
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:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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