1,3,4-tribromo-2-chloro-5-methoxybenzene

C7H4Br3ClO — CID 169336784

IUPAC1,3,4-tribromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-12-4-2-3(8)7(11)6(10)5(4)9/h2H,1H3
InChIKeyZPXOKYIBUMEVHD-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.64
Rot. Bonds1

About 1,3,4-tribromo-2-chloro-5-methoxybenzene

1,3,4-tribromo-2-chloro-5-methoxybenzene (PubChem CID 169336784) has the molecular formula C7H4Br3ClO and a molecular weight of 379.27 g/mol. Its IUPAC name is 1,3,4-tribromo-2-chloro-5-methoxybenzene.

Molecular Properties

Compound Name1,3,4-tribromo-2-chloro-5-methoxybenzene
PubChem CID169336784
Molecular FormulaC7H4Br3ClO
Molecular Weight379.27 g/mol
Exact Mass375.75
IUPAC Name1,3,4-tribromo-2-chloro-5-methoxybenzene
SMILESCOc1cc(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-12-4-2-3(8)7(11)6(10)5(4)9/h2H,1H3
InChIKeyZPXOKYIBUMEVHD-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.64
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

4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
CID 150421418
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
(3-bromo-4-chloro-5-methoxyphenyl)methanamine
CID 122129661
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
4-bromo-3,5-dimethoxyphenol
CID 14339099
dimethyl 3-(2,4-dibromo-3-chloro-6-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634237
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
2,5-dibromo-1-methoxy-3-methylsulfanylbenzene
CID 74891357

Frequently Asked Questions

What is the IUPAC name of 1,3,4-tribromo-2-chloro-5-methoxybenzene?
The IUPAC name of 1,3,4-tribromo-2-chloro-5-methoxybenzene (CID 169336784) is 1,3,4-tribromo-2-chloro-5-methoxybenzene.
What is the SMILES notation for 1,3,4-tribromo-2-chloro-5-methoxybenzene?
The canonical SMILES for 1,3,4-tribromo-2-chloro-5-methoxybenzene is COc1cc(Br)c(Cl)c(Br)c1Br.
What is the InChIKey of 1,3,4-tribromo-2-chloro-5-methoxybenzene?
The InChIKey is ZPXOKYIBUMEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3ClO/c1-12-4-2-3(8)7(11)6(10)5(4)9/h2H,1H3.
What are the key properties of 1,3,4-tribromo-2-chloro-5-methoxybenzene?
1,3,4-tribromo-2-chloro-5-methoxybenzene has a molecular weight of 379.27 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tribromo-2-chloro-5-methoxybenzene is sourced from PubChem (CID 169336784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).