4-Chloro-2-(4-chlorophenyl)-5-trifluoromethyl)-1H-pyrrole-3-carbonitrile

HCID 178718

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Basic information

CAS: 143464-11-3
Standard SMILES: N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Cl
InChIKey: NEJOUVCVRWGGDB-UHFFFAOYSA-N
Molecular formula: C12H5Cl2F3N2
Average molar mass: 305.08 g/mol
Monoisotopic mass: 303.97818818

Names & identifiers

Preferred name: 4-Chloro-2-(4-chlorophenyl)-5-trifluoromethyl)-1H-pyrrole-3-carbonitrile
IUPAC: 4-chloro-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Names & synonyms

4-Chloro-2-(4-chlorophenyl)-5-trifluoromethyl)-1H-pyrrole-3-carbonitrile143464-11-34-chloro-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileSCHEMBL1180132DTXSID901624294-Chloro-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile

Database identifiers

CAS: 143464-11-3
PubChem CID: 178718
DTXSID: DTXSID90162429

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 39.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 371

Related reactions

2 records

New reaction record

HRID 864651As productuspto-grants-1996_10

HRID 2399544As productuspto-grants-1995_09

Compound notes

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