1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene

C12H5BrCl4 — CID 101446693

IUPAC1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene
SMILESClc1cc(Cl)c(-c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H5BrCl4/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
InChIKeyMHNVNUVYEUVATH-UHFFFAOYSA-N
MW370.89 g/mol
LogP6.73
Rot. Bonds1

About 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene

1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene (PubChem CID 101446693) has the molecular formula C12H5BrCl4 and a molecular weight of 370.89 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene
PubChem CID101446693
Molecular FormulaC12H5BrCl4
Molecular Weight370.89 g/mol
Exact Mass367.83
IUPAC Name1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene
SMILESClc1cc(Cl)c(-c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H5BrCl4/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
InChIKeyMHNVNUVYEUVATH-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.89
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
CID 101423965
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
1,2,4-trichloro-5-phenylbenzene
CID 27514
acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
CID 175402052
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
4-bromo-3-chlorophenol
CID 7018182
5-(4-bromo-3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 81295646

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene (CID 101446693) is 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene is Clc1cc(Cl)c(-c2ccc(Br)c(Cl)c2)cc1Cl.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene?
The InChIKey is MHNVNUVYEUVATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl4/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene?
1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene has a molecular weight of 370.89 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene is sourced from PubChem (CID 101446693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).