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6-bromo-1H-indole-2,3-dione

6-bromo-1H-indole-2,3-dione

CAS: 6326-79-0

Formula: C8H4BrNO2

SMILES: BrC1=CC2=C(C=C1)C(=O)C(=O)N2

IUPAC: 6-bromo-2,3-dihydro-1H-indole-2,3-dione

InChI: InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)

Composition: C (42.51%), H (1.78%), Br (35.35%), N (6.20%), O (14.16%)

Molar Mass: 226.029

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.942541
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HVPQMLZLINVIHW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.1
Topological Polar Surface Area 46.17
Polarizability 17.51
Ring Count 2
Rotatable Bond Count 0

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