6-bromo-1-methyl-2-(2-nitrovinyl)-1H-indole

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Basic information

CAS: 1382774-61-9
Standard SMILES: Cn1c(C=C[N+](=O)[O-])cc2ccc(Br)cc21
InChIKey: BKRNHABFWIVUNS-UHFFFAOYSA-N
Molecular formula: C11H9BrN2O2
Average molar mass: 281.1 g/mol
Monoisotopic mass: 279.98474

Names & identifiers

Preferred name: 6-bromo-1-methyl-2-(2-nitrovinyl)-1H-indole
IUPAC: 6-bromo-1-methyl-2-(2-nitroethenyl)indole

Names & synonyms

6-bromo-1-methyl-2-(2-nitrovinyl)-1H-indoleSCHEMBL9929051BKRNHABFWIVUNS-UHFFFAOYSA-NDTXSID7012529901382774-61-96-Bromo-1-methyl-2-(2-nitroethenyl)-1H-indole

Database identifiers

CAS: 1382774-61-9
PubChem CID: 67969201
DTXSID: DTXSID701252990

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 303

Related reactions

2 records

New reaction record

HRID 2365418As productuspto-grants-2014_04

HRID 2365419As reactantuspto-grants-2014_04

Compound notes

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