Ethyl 7-bromo-5-isopropyl-1H-indole-2-carboxylate

HCID 4715134

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Basic information

CAS: 881041-20-9
Standard SMILES: CCOC(=O)c1cc2cc(C(C)C)cc(Br)c2[nH]1
InChIKey: FKLBQXPNXVCXOY-UHFFFAOYSA-N
Molecular formula: C14H16BrNO2
Average molar mass: 310.19 g/mol
Monoisotopic mass: 309.03644

Names & identifiers

Preferred name: Ethyl 7-bromo-5-isopropyl-1H-indole-2-carboxylate
IUPAC: ethyl 7-bromo-5-propan-2-yl-1H-indole-2-carboxylate

Names & synonyms

ETHYL 7-BROMO-5-ISOPROPYL-1H-INDOLE-2-CARBOXYLATE881041-20-9ethyl 7-bromo-5-propan-2-yl-1H-indole-2-carboxylateethyl 7-bromo-5-(propan-2-yl)-1H-indole-2-carboxylateDTXSID101204674MFCD06653202AKOS001476453ETHYL7-BROMO-5-ISOPROPYL-1H-INDOLE-2-CARBOXYLATEEthyl 7-bromo-5-(1-methylethyl)-1H-indole-2-carboxylate

Database identifiers

CAS: 881041-20-9
PubChem CID: 4715134
DTXSID: DTXSID101204674

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 308

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