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

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

CAS: 100123-25-9

Formula: C12H10BrNO3

SMILES: CCOC(=O)C1=C(C=O)C2=CC(Br)=CC=C2N1

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

InChI: InChI=1S/C12H10BrNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/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	VPJYMMSHBAEVOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68
Topological Polar Surface Area	59.16
Polarizability	26.5
Ring Count	2
Rotatable Bond Count	4

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