Pyrrolnitrin; 2-Chloro

AlkaPlorer ID: AK312080

Synonym: 2,3-Dichloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole, Chloropyrrolnitrin 

IUPAC Name: 2,3-dichloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Structure

SMILES: O=[N+]([O-])C1=C(C2=CNC(Cl)=C2Cl)C=CC=C1Cl

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InChI: InChI=1S/C10H5Cl3N2O2/c11-7-3-1-2-5(9(7)15(16)17)6-4-14-10(13)8(6)12/h1-4,14H

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InChIKey: CZHPYSUGJMFCTC-UHFFFAOYSA-N

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Reference

PubChem CID: 367486

CAS: 21390-86-3

NPASS: NPC157925

Properties Information

Molecule Weight: 291.5210000000001

TPSA: 58.93

MolLogP: 4.550100000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information