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ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate

ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate

CAS: 72016-68-3

Formula: C13H14BrNO2

SMILES: CCOC(=O)CC1=C(C)NC2=CC=C(Br)C=C12

IUPAC: ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate

InChI: InChI=1S/C13H14BrNO2/c1-3-17-13(16)7-10-8(2)15-12-5-4-9(14)6-11(10)12/h4-6,15H,3,7H2,1-2H3

Composition: C (52.72%), H (4.76%), Br (26.98%), N (4.73%), O (10.80%)

Molar Mass: 296.164

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.020792
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GNAIWTYKMSIQQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.74
Topological Polar Surface Area 42.09
Polarizability 28.13
Ring Count 2
Rotatable Bond Count 4

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