1P8

6-bromo-1,3-dihydro-2H-indol-2-one

Created:	2013-04-19
Last modified:	2013-05-29

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5 entries where 1P8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 1P8

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Chemical Component Summary
Name	6-bromo-1,3-dihydro-2H-indol-2-one
Systematic Name (OpenEye OEToolkits)	6-bromanyl-1,3-dihydroindol-2-one
Formula	C₈ H₆ Br N O
Molecular Weight	212.043
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc2c(c1)NC(=O)C2
SMILES	CACTVS	3.370	Brc1ccc2CC(=O)Nc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Br)NC(=O)C2
Canonical SMILES	CACTVS	3.370	Brc1ccc2CC(=O)Nc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Br)NC(=O)C2
InChI	InChI	1.03	InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey	InChI	1.03	JARRYVQFBQVOBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2773289
ChEMBL	CHEMBL2381492
CCDC/CSD	CASQUM

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