1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene

C13H7Br4Cl — CID 107980813

IUPAC1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
SMILESClC(c1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br4Cl/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H
InChIKeySHYWFVWQDDOKCG-UHFFFAOYSA-N
MW518.27 g/mol
LogP7.06
Rot. Bonds2

About 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene

1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene (PubChem CID 107980813) has the molecular formula C13H7Br4Cl and a molecular weight of 518.27 g/mol. Its IUPAC name is 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
PubChem CID107980813
Molecular FormulaC13H7Br4Cl
Molecular Weight518.27 g/mol
Exact Mass513.70
IUPAC Name1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
SMILESClC(c1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br4Cl/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H
InChIKeySHYWFVWQDDOKCG-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.27
LogP ≤ 57.06
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-4-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 107964452
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
2,2-dichloro-1-(2,5-dibromophenyl)ethanol
CID 163445311
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-bromo-3-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylbenzene
CID 113460980
2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
2-[chloro-(2,5-dibromophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63429641
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene?
The IUPAC name of 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene (CID 107980813) is 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene is ClC(c1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene?
The InChIKey is SHYWFVWQDDOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br4Cl/c14-8-1-2-12(17)11(6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13H.
What are the key properties of 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene?
1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene has a molecular weight of 518.27 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene is sourced from PubChem (CID 107980813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).