2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene

C13H8BrCl3 — CID 55198018

IUPAC2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)c2ccccc2Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-13(9-3-1-2-4-11(9)16)10-7-8(15)5-6-12(10)17/h1-7,13H
InChIKeyQZSWAACAFZTSHA-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.13
Rot. Bonds2

About 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene

2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene (PubChem CID 55198018) has the molecular formula C13H8BrCl3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
PubChem CID55198018
Molecular FormulaC13H8BrCl3
Molecular Weight350.47 g/mol
Exact Mass347.89
IUPAC Name2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)c2ccccc2Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-13(9-3-1-2-4-11(9)16)10-7-8(15)5-6-12(10)17/h1-7,13H
InChIKeyQZSWAACAFZTSHA-UHFFFAOYSA-N
XLogP6.13
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 ≤ 56.13
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

2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477492
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
CID 63444485
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene (CID 55198018) is 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene is Clc1ccc(Cl)c(C(Br)c2ccccc2Cl)c1.
What is the InChIKey of 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The InChIKey is QZSWAACAFZTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3/c14-13(9-3-1-2-4-11(9)16)10-7-8(15)5-6-12(10)17/h1-7,13H.
What are the key properties of 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene?
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene has a molecular weight of 350.47 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene is sourced from PubChem (CID 55198018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).