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(RS)-1-(2-azido-propyl)-6,7-dichloro-1,4-dihydro-indeno[1,2-b]pyrrole

HCID 19036601
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(Cn1ccc2c1-c1cc(Cl)c(Cl)cc1C2)N=[N+]=[N-]
InChIKey
NJZAEHPFLNZZBK-UHFFFAOYSA-N
Molecular formula
C14H12Cl2N4
Average molar mass
307.2 g/mol
Monoisotopic mass
306.0439018

Names & identifiers

Preferred name
(RS)-1-(2-azido-propyl)-6,7-dichloro-1,4-dihydro-indeno[1,2-b]pyrrole
IUPAC
1-(2-azidopropyl)-6,7-dichloro-4H-indeno[1,2-b]pyrrole

Names & synonyms

NJZAEHPFLNZZBK-UHFFFAOYSA-N(RS)-1-(2-azido-propyl)-6,7-dichloro-1,4-dihydro-indeno[1,2-b]pyrrole

Database identifiers

PubChem CID
19036601

Properties

Computed structural propertiesFilling in

XLogP
4.8
Topological polar surface area
19.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
412

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Related reactions

2 records
New reaction record
HRID 140405 reaction equation
HRID 140405As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 264517 reaction equation
HRID 264517As productuspto-grants-1997_07

Compound notes

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