Q5Q

3,6-dibromo-1-(hydroxymethyl)carbazole

Created:	2020-05-18
Last modified:	2021-06-09

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1 entries where Q5Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	15

2D diagram of Q5Q

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Chemical Component Summary
Name	3,6-dibromo-1-(hydroxymethyl)carbazole
Synonyms	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
Systematic Name (OpenEye OEToolkits)	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
Formula	C₁₃ H₉ Br₂ N O
Molecular Weight	355.025
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O
Canonical SMILES	CACTVS	3.385	Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O
InChI	InChI	1.03	InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3
InChIKey	InChI	1.03	LFOHIKGNXVHWSB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155921272

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