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5-bromo-7-methyl-1H-indole-2,3-dione

5-bromo-7-methyl-1H-indole-2,3-dione

CAS: 77395-10-9

Formula: C9H6BrNO2

SMILES: CC1=CC(Br)=CC2=C1NC(=O)C2=O

IUPAC: 5-bromo-7-methyl-2,3-dihydro-1H-indole-2,3-dione

InChI: InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)

Composition: C (45.03%), H (2.52%), Br (33.29%), N (5.83%), O (13.33%)

Molar Mass: 240.056

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.958191
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NPRAKNSGKOICIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.14
Topological Polar Surface Area 46.17
Polarizability 19.24
Ring Count 2
Rotatable Bond Count 0

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