7XX

4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide

Created:	2017-02-07
Last modified:	2017-05-31

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1 entries where 7XX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of 7XX

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Chemical Component Summary
Name	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
Formula	C₁₃ H₁₀ Cl₂ N₂ O₂
Molecular Weight	297.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc(cc1C(N)=O)C(=O)c2cccc(Cl)c2Cl
SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl
Canonical SMILES	CACTVS	3.385	Cn1cc(cc1C(N)=O)C(=O)c2cccc(Cl)c2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl
InChI	InChI	1.03	InChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19)
InChIKey	InChI	1.03	FMLVUFPKCOWTII-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1478396
ChEMBL	CHEMBL4092292

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