ethyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate

ethyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate

CAS: 214915-73-8

Formula: C12H10BrNO3

SMILES: CCOC(=O)C(=O)C1=CNC2=CC=CC(Br)=C12

IUPAC: ethyl 2-(4-bromo-1H-indol-3-yl)-2-oxoacetate

InChI: InChI=1S/C12H10BrNO3/c1-2-17-12(16)11(15)7-6-14-9-5-3-4-8(13)10(7)9/h3-6,14H,2H2,1H3

Composition: C (48.67%), H (3.40%), Br (26.98%), N (4.73%), O (16.21%)

Molar Mass: 296.12

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	294.984406
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PTITZPZNWITTBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.48
Topological Polar Surface Area	59.16
Polarizability	26.51
Ring Count	2
Rotatable Bond Count	4

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