1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene

C13H7BrCl4 — CID 63444065

IUPAC1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl4/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6,13H
InChIKeyQRCURZVPJQCPKT-UHFFFAOYSA-N
MW384.92 g/mol
LogP6.74
Rot. Bonds2

About 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene

1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene (PubChem CID 63444065) has the molecular formula C13H7BrCl4 and a molecular weight of 384.92 g/mol. Its IUPAC name is 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
PubChem CID63444065
Molecular FormulaC13H7BrCl4
Molecular Weight384.92 g/mol
Exact Mass381.85
IUPAC Name1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl4/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6,13H
InChIKeyQRCURZVPJQCPKT-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'}

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Related Compounds

1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene (CID 63444065) is 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene is Clc1ccc(C(Cl)c2cc(Br)ccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene?
The InChIKey is QRCURZVPJQCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl4/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6,13H.
What are the key properties of 1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene?
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene 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-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63444065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).