4,4-Dichloro-5-(trichloromethyl)-3,4-dihydro-2H-pyrrole

HCID 21673751

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Basic information

CAS: 226409-94-5
Standard SMILES: ClC(Cl)(Cl)C1=NCCC1(Cl)Cl
InChIKey: KZPXWDNZBIVLTC-UHFFFAOYSA-N
Molecular formula: C5H4Cl5N
Average molar mass: 255.3 g/mol
Monoisotopic mass: 252.87863753

Names & identifiers

Preferred name: 4,4-Dichloro-5-(trichloromethyl)-3,4-dihydro-2H-pyrrole
IUPAC: 4,4-dichloro-5-(trichloromethyl)-2,3-dihydropyrrole

Names & synonyms

226409-94-54,4-Dichloro-5-(trichloromethyl)-3,4-dihydro-2H-pyrroleSCHEMBL2873261KZPXWDNZBIVLTC-UHFFFAOYSA-KZPXWDNZBIVLTC-UHFFFAOYSA-NDTXSID301204999DB-0945744,4-Dichloro-3,4-dihydro-5-(trichloromethyl)-2H-pyrroleInChI=1/C5H4Cl5N/c6-4(7)1-2-11-3(4)5(8,9)10/h1-2H2

Database identifiers

CAS: 226409-94-5
PubChem CID: 21673751
DTXSID: DTXSID301204999

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 192

Related reactions

1 records

New reaction record

HRID 453874As reactantuspto-grants-2013_07

Compound notes

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