5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol

C26H16Br4Cl4F4O4 — CID 162005787

IUPAC5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
SMILESCOc1c(Cl)cc(Br)cc1Cl.COc1c(F)cc(Br)cc1F.Oc1c(Cl)cc(Br)cc1Cl.Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrCl2O.C7H5BrF2O.C6H3BrCl2O.C6H3BrF2O/c2*1-11-7-5(9)2-4(8)3-6(7)10;2*7-3-1-4(8)6(10)5(9)2-3/h2*2-3H,1H3;2*1-2,10H
InChIKeyYSUVDRNXDSXJGM-UHFFFAOYSA-N
MW929.83 g/mol
LogP12.39
Rot. Bonds2

About 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol

5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol (PubChem CID 162005787) has the molecular formula C26H16Br4Cl4F4O4 and a molecular weight of 929.83 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
PubChem CID162005787
Molecular FormulaC26H16Br4Cl4F4O4
Molecular Weight929.83 g/mol
Exact Mass923.65
IUPAC Name5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
SMILESCOc1c(Cl)cc(Br)cc1Cl.COc1c(F)cc(Br)cc1F.Oc1c(Cl)cc(Br)cc1Cl.Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrCl2O.C7H5BrF2O.C6H3BrCl2O.C6H3BrF2O/c2*1-11-7-5(9)2-4(8)3-6(7)10;2*7-3-1-4(8)6(10)5(9)2-3/h2*2-3H,1H3;2*1-2,10H
InChIKeyYSUVDRNXDSXJGM-UHFFFAOYSA-N
XLogP12.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.83
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol?
The IUPAC name of 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol (CID 162005787) is 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol?
The canonical SMILES for 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol is COc1c(Cl)cc(Br)cc1Cl.COc1c(F)cc(Br)cc1F.Oc1c(Cl)cc(Br)cc1Cl.Oc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol?
The InChIKey is YSUVDRNXDSXJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O.C7H5BrF2O.C6H3BrCl2O.C6H3BrF2O/c2*1-11-7-5(9)2-4(8)3-6(7)10;2*7-3-1-4(8)6(10)5(9)2-3/h2*2-3H,1H3;2*1-2,10H.
What are the key properties of 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol?
5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol has a molecular weight of 929.83 g/mol, XLogP of 12.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol is sourced from PubChem (CID 162005787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).