1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene

C7H3BrCl4O — CID 91748514

IUPAC1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
SMILESCOc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C7H3BrCl4O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKeyYSVAURKXNCNUNS-UHFFFAOYSA-N
MW324.82 g/mol
LogP5.07
Rot. Bonds1

About 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene

1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene (PubChem CID 91748514) has the molecular formula C7H3BrCl4O and a molecular weight of 324.82 g/mol. Its IUPAC name is 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
PubChem CID91748514
Molecular FormulaC7H3BrCl4O
Molecular Weight324.82 g/mol
Exact Mass321.81
IUPAC Name1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
SMILESCOc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C7H3BrCl4O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKeyYSVAURKXNCNUNS-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.82
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentachloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 129318206
1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
CID 86035414
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
methane;1,2,4,5-tetrachloro-3,6-dimethoxybenzene;1,2,4,5-tetrachloro-3,6-dimethylbenzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)benzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenyl)benzene;1,2,4,5-tetrachloro-3-methyl-6-(2,3,5,6-tetrachloro-4-methylphenyl)benzene
CID 161453587
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1,2,4-trichloro-3,6-dimethoxy-5-nitrobenzene
CID 625283
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
2-(aminomethyl)-6-bromo-4-chloro-3,5-dimethoxyphenol;hydrochloride
CID 45259840
3-bromo-5-tert-butyl-2-chloro-4-methoxyaniline
CID 118612819
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene?
The IUPAC name of 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene (CID 91748514) is 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene?
The canonical SMILES for 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene is COc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl.
What is the InChIKey of 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene?
The InChIKey is YSVAURKXNCNUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl4O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3.
What are the key properties of 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene?
1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene has a molecular weight of 324.82 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene is sourced from PubChem (CID 91748514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).