1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene

C13H8Br2Cl2 — CID 107955839

IUPAC1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
SMILESClc1cc(Br)cc(C(Cl)c2ccc(Br)cc2)c1
InChIInChI=1S/C13H8Br2Cl2/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H
InChIKeyUJNUWWUGUBVSJE-UHFFFAOYSA-N
MW394.92 g/mol
LogP6.19
Rot. Bonds2

About 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene

1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene (PubChem CID 107955839) has the molecular formula C13H8Br2Cl2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
PubChem CID107955839
Molecular FormulaC13H8Br2Cl2
Molecular Weight394.92 g/mol
Exact Mass391.84
IUPAC Name1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
SMILESClc1cc(Br)cc(C(Cl)c2ccc(Br)cc2)c1
InChIInChI=1S/C13H8Br2Cl2/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H
InChIKeyUJNUWWUGUBVSJE-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.92
LogP ≤ 56.19
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-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
5-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,3-dimethyl-2H-1-benzofuran
CID 107959246
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
2-[(3-bromo-5-chlorophenyl)-chloromethyl]-5-tert-butylthiophene
CID 114020890
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
CID 115354314
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene?
The IUPAC name of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene (CID 107955839) is 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene is Clc1cc(Br)cc(C(Cl)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene?
The InChIKey is UJNUWWUGUBVSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H.
What are the key properties of 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene?
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene has a molecular weight of 394.92 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene is sourced from PubChem (CID 107955839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).