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{6'-bromo-2'-oxo-1',3'-dihydro-[2,3'-biindol]-3-ylidene}amino acetate

{6'-bromo-2'-oxo-1',3'-dihydro-[2,3'-biindol]-3-ylidene}amino acetate

CAS: 667463-85-6

Formula: C18H12BrN3O3

SMILES: CC(=O)ON=C1C2=CC=CC=C2N=C1C1C(=O)NC2=C1C=CC(Br)=C2

IUPAC: {6'-bromo-2'-oxo-1',2'-dihydro-3H,3'H-[2,3'-biindol]-3-ylidene}amino acetate

InChI: InChI=1/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,15H,1H3,(H,21,24)

Composition: C (54.29%), H (3.04%), Br (20.07%), N (10.55%), O (12.05%)

Molar Mass: 398.216

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 397.006204
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey NYUZRUSEVCTGCU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.32
Topological Polar Surface Area 80.12
Polarizability 35.74
Ring Count 4
Rotatable Bond Count 3

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