1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene

C13H8BrCl3 — CID 63429159

IUPAC1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H
InChIKeyOGCGWHVIAKVINQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.08
Rot. Bonds2

About 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene

1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene (PubChem CID 63429159) has the molecular formula C13H8BrCl3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
PubChem CID63429159
Molecular FormulaC13H8BrCl3
Molecular Weight350.47 g/mol
Exact Mass347.89
IUPAC Name1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H
InChIKeyOGCGWHVIAKVINQ-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
4-bromo-1-[(4-butan-2-ylphenyl)-chloromethyl]-2-chlorobenzene
CID 63430121

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene (CID 63429159) is 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene is Clc1ccc(C(Cl)c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene?
The InChIKey is OGCGWHVIAKVINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H.
What are the key properties of 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene?
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene has a molecular weight of 350.47 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63429159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).