5-Bromo-1-(2-nitrophenyl)-2,3-dihydro-1H-indole

HCID 13823332CAS 96014-84-5
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Basic information

Standard SMILES
O=[N+]([O-])c1ccccc1N1CCc2cc(Br)ccc21
InChIKey
QMPJBHNXGPLERE-UHFFFAOYSA-N
Molecular formula
C14H11BrN2O2
Average molar mass
319.15 g/mol
Monoisotopic mass
318.00038969

Names & identifiers

Preferred name
5-Bromo-1-(2-nitrophenyl)-2,3-dihydro-1H-indole
IUPAC
5-bromo-1-(2-nitrophenyl)-2,3-dihydroindole

Names & synonyms

96014-84-55-Bromo-1-(2-nitrophenyl)-2,3-dihydro-1H-indoleSCHEMBL10620885DTXSID20550517QMPJBHNXGPLERE-UHFFFAOYSA-N5-Bromo-1-(2-nitrophenyl)indoline

Database identifiers

CAS
96014-84-5
PubChem CID
13823332
DTXSID
DTXSID20550517

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
49.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
19

Related reactions

6 records
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Linked notes

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