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5,5',7,7'-tetrabromo-1,2-dihydro-[2,2'-biindole]-3,3'-dione

5,5',7,7'-tetrabromo-1,2-dihydro-[2,2'-biindole]-3,3'-dione

CAS: 2475-31-2

Formula: C16H6Br4N2O2

SMILES: BrC1=CC2=C(NC(C2=O)C2=NC3=C(C=C(Br)C=C3Br)C2=O)C(Br)=C1

IUPAC: 5,5',7,7'-tetrabromo-2,3-dihydro-1H,3'H-[2,2'-biindole]-3,3'-dione

InChI: InChI=1/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,13,21H

Composition: C (33.26%), H (1.05%), Br (55.31%), N (4.85%), O (5.54%)

Molar Mass: 577.852

Atom Count: 30

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 573.716279
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PWMSMEHNIRRFSL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 108.42
Topological Polar Surface Area 58.53
Polarizability 39.79
Ring Count 4
Rotatable Bond Count 1

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