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

C12H5BrCl4 — CID 101423965

IUPAC1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
SMILESClc1cc(Cl)c(Cl)c(-c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H5BrCl4/c13-9-2-1-6(3-10(9)15)8-4-7(14)5-11(16)12(8)17/h1-5H
InChIKeyVYCOQTBZQWKCBV-UHFFFAOYSA-N
MW370.89 g/mol
LogP6.73
Rot. Bonds1

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

1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene (PubChem CID 101423965) has the molecular formula C12H5BrCl4 and a molecular weight of 370.89 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
PubChem CID101423965
Molecular FormulaC12H5BrCl4
Molecular Weight370.89 g/mol
Exact Mass367.83
IUPAC Name1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
SMILESClc1cc(Cl)c(Cl)c(-c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C12H5BrCl4/c13-9-2-1-6(3-10(9)15)8-4-7(14)5-11(16)12(8)17/h1-5H
InChIKeyVYCOQTBZQWKCBV-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)-2,4,5-trichlorobenzene
CID 101446693
3-(4-bromophenyl)-2,5-dichlorobenzenethiol
CID 57142660
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
3-(2,3,5-trichlorophenyl)thiophene
CID 130088556
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
3-bromo-5-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine
CID 11383047
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
CID 175850282

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene (CID 101423965) is 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene is Clc1cc(Cl)c(Cl)c(-c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene?
The InChIKey is VYCOQTBZQWKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl4/c13-9-2-1-6(3-10(9)15)8-4-7(14)5-11(16)12(8)17/h1-5H.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene?
1-(4-bromo-3-chlorophenyl)-2,3,5-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)-2,3,5-trichlorobenzene is sourced from PubChem (CID 101423965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).