1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene

C13H7BrCl4 — CID 81295695

IUPAC1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H7BrCl4/c14-10-3-1-7(5-12(10)17)13(18)9-6-8(15)2-4-11(9)16/h1-6,13H
InChIKeyHROHNFAQLONRMQ-UHFFFAOYSA-N
MW384.92 g/mol
LogP6.74
Rot. Bonds2

About 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene

1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene (PubChem CID 81295695) has the molecular formula C13H7BrCl4 and a molecular weight of 384.92 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
PubChem CID81295695
Molecular FormulaC13H7BrCl4
Molecular Weight384.92 g/mol
Exact Mass381.85
IUPAC Name1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C13H7BrCl4/c14-10-3-1-7(5-12(10)17)13(18)9-6-8(15)2-4-11(9)16/h1-6,13H
InChIKeyHROHNFAQLONRMQ-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.92
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
CID 107964544
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
6-[chloro-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433969
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene (CID 81295695) is 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene is Clc1ccc(Cl)c(C(Cl)c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The InChIKey is HROHNFAQLONRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl4/c14-10-3-1-7(5-12(10)17)13(18)9-6-8(15)2-4-11(9)16/h1-6,13H.
What are the key properties of 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene?
1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene has a molecular weight of 384.92 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene is sourced from PubChem (CID 81295695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).