H70

2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL

Created:	2010-08-10
Last modified:	2020-06-05

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2 entries where H70 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	12

2D diagram of H70

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Chemical Component Summary
Name	2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL
Synonyms	TRIBROMODICHLOROPSEUDILIN
Systematic Name (OpenEye OEToolkits)	2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol
Formula	C₁₀ H₄ Br₃ Cl₂ N O
Molecular Weight	464.763
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br
SMILES	CACTVS	3.352	Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br
SMILES	OpenEye OEToolkits	1.6.1	c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl
Canonical SMILES	CACTVS	3.352	Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H
InChIKey	InChI	1.03	KMUJMUQZYHMNDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14431161
ChEMBL	CHEMBL1738810

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