U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12ClN
Molecular Weight 205.683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE

SMILES

CC1=CC=C(C)N1C2=CC=C(Cl)C=C2

InChI

InChIKey=NNKFIFOSLJJRES-UHFFFAOYSA-N
InChI=1S/C12H12ClN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(4-CHLOROPHENYL)-2,5-DIMETHYLPYRROLE
Preferred Name English
1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE
Systematic Name English
1H-PYRROLE, 1-(4-CHLOROPHENYL)-2,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
225-739-8
Created by admin on Tue Apr 01 17:36:45 GMT 2025 , Edited by admin on Tue Apr 01 17:36:45 GMT 2025
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FDA UNII
TZT47QAU4U
Created by admin on Tue Apr 01 17:36:45 GMT 2025 , Edited by admin on Tue Apr 01 17:36:45 GMT 2025
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EPA CompTox
DTXSID90198480
Created by admin on Tue Apr 01 17:36:45 GMT 2025 , Edited by admin on Tue Apr 01 17:36:45 GMT 2025
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CAS
5044-23-5
Created by admin on Tue Apr 01 17:36:45 GMT 2025 , Edited by admin on Tue Apr 01 17:36:45 GMT 2025
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PUBCHEM
78742
Created by admin on Tue Apr 01 17:36:45 GMT 2025 , Edited by admin on Tue Apr 01 17:36:45 GMT 2025
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