A1ISU

3,5-bis(chloranyl)aniline

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1ISU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of A1ISU

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Chemical Component Summary
Name	3,5-bis(chloranyl)aniline
Synonyms	3,5-dichloroaniline
Systematic Name (OpenEye OEToolkits)	3,5-bis(chloranyl)aniline
Formula	C₆ H₅ Cl₂ N
Molecular Weight	162.017
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1cc(Cl)cc(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(cc1Cl)Cl)N
Canonical SMILES	CACTVS	3.385	Nc1cc(Cl)cc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(cc1Cl)Cl)N
InChI	InChI	1.06	InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey	InChI	1.06	UQRLKWGPEVNVHT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12281
ChEMBL	CHEMBL1451208
ChEBI	CHEBI:19904
CCDC/CSD	WEMDUN, ZOHWEA, ZOHTUN

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.