ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate

ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate

CAS: 1245933-87-2

Formula: C12H12BrNO2

SMILES: CCOC(=O)C1=C(C)NC2=CC=C(Br)C=C12

IUPAC: ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate

InChI: InChI=1S/C12H12BrNO2/c1-3-16-12(15)11-7(2)14-10-5-4-8(13)6-9(10)11/h4-6,14H,3H2,1-2H3

Composition: C (51.09%), H (4.29%), Br (28.32%), N (4.96%), O (11.34%)

Molar Mass: 282.137

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	281.005142
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SYFCLQGHXLTDOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.69
Topological Polar Surface Area	42.09
Polarizability	26.29
Ring Count	2
Rotatable Bond Count	3

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