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2-Cyanoethoxy(4,5-dichloroimidazolyl)pyrrolidinophosphine

HCID 18325652
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CCCOP(c1nc(Cl)c(Cl)[nH]1)N1CCCC1
InChIKey
UMFLVDJYLZXLTH-UHFFFAOYSA-N
Molecular formula
C10H13Cl2N4OP
Average molar mass
307.11 g/mol
Monoisotopic mass
306.0204034

Names & identifiers

Preferred name
2-Cyanoethoxy(4,5-dichloroimidazolyl)pyrrolidinophosphine
IUPAC
3-[(4,5-dichloro-1H-imidazol-2-yl)-pyrrolidin-1-ylphosphanyl]oxypropanenitrile

Names & synonyms

SCHEMBL7688684UMFLVDJYLZXLTH-UHFFFAOYSA-N2-Cyanoethoxy(4,5-dichloroimidazolyl)pyrrolidinophosphine

Database identifiers

PubChem CID
18325652

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
64.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
320

Related reactions

2 records
New reaction record
HRID 315458 reaction equation
HRID 315458As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1250986 reaction equation
HRID 1250986As productuspto-grants-2002_01

Compound notes

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