1-bromo-2,3,4,5-tetrachlorobenzene

C6HBrCl4 — CID 517976

IUPAC1-bromo-2,3,4,5-tetrachlorobenzene
SMILESClc1cc(Br)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HBrCl4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyNEPMWYGBQGFJHN-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.06
Rot. Bonds

About 1-bromo-2,3,4,5-tetrachlorobenzene

1-bromo-2,3,4,5-tetrachlorobenzene (PubChem CID 517976) has the molecular formula C6HBrCl4 and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-bromo-2,3,4,5-tetrachlorobenzene.

Molecular Properties

Compound Name1-bromo-2,3,4,5-tetrachlorobenzene
PubChem CID517976
Molecular FormulaC6HBrCl4
Molecular Weight294.79 g/mol
Exact Mass291.80
IUPAC Name1-bromo-2,3,4,5-tetrachlorobenzene
SMILESClc1cc(Br)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HBrCl4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyNEPMWYGBQGFJHN-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-Bromo-2,4-dichlorobenzene
CID 70947
4-Bromo-1,2-dichlorobenzene
CID 29013
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-1,3,5-trichlorobenzene
CID 140526
Benzene, bromopentachloro-
CID 3014710
1,2-Dibromo-3,4,5,6-tetrachloro-benzene
CID 184107
5-Bromo-1,2,3-trichlorobenzene
CID 4124400
1-Bromo-2,3,5-trichlorobenzene
CID 4382903
1-Bromo-2,4,5-trichlorobenzene
CID 122453
1-Bromo-2,3-dichloro-5-fluorobenzene
CID 21691051
5-Bromo-1,2-dichloro-3-fluorobenzene
CID 44891199

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3,4,5-tetrachlorobenzene?
The IUPAC name of 1-bromo-2,3,4,5-tetrachlorobenzene (CID 517976) is 1-bromo-2,3,4,5-tetrachlorobenzene.
What is the SMILES notation for 1-bromo-2,3,4,5-tetrachlorobenzene?
The canonical SMILES for 1-bromo-2,3,4,5-tetrachlorobenzene is Clc1cc(Br)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1-bromo-2,3,4,5-tetrachlorobenzene?
The InChIKey is NEPMWYGBQGFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1-bromo-2,3,4,5-tetrachlorobenzene?
1-bromo-2,3,4,5-tetrachlorobenzene has a molecular weight of 294.79 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,4,5-tetrachlorobenzene is sourced from PubChem (CID 517976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).