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122281-20-3 | 2H-Indol-2-one, 5-(2-bromo-1-oxopropyl)-1,3-dihydro-3,3-dimethyl-
CAS No: 122281-20-3 Catalog No: AG001723 MDL No:
Product Description
Catalog Number:
AG001723
Chemical Name:
2H-Indol-2-one, 5-(2-bromo-1-oxopropyl)-1,3-dihydro-3,3-dimethyl-
CAS Number:
122281-20-3
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
IUPAC Name:
5-(2-bromopropanoyl)-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C13H14BrNO2/c1-7(14)11(16)8-4-5-10-9(6-8)13(2,3)12(17)15-10/h4-7H,1-3H3,(H,15,17)
InChI Key:
PLGGAXBXMSLRGC-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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