1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene

C13H8Br2Cl2 — CID 15788411

IUPAC1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene
SMILESClc1cc(Br)cc(Cc2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H8Br2Cl2/c14-10-2-8(4-12(16)6-10)1-9-3-11(15)7-13(17)5-9/h2-7H,1H2
InChIKeyGVLANCSDUPYTQX-UHFFFAOYSA-N
MW394.92 g/mol
LogP6.11
Rot. Bonds2

About 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene

1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene (PubChem CID 15788411) has the molecular formula C13H8Br2Cl2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene
PubChem CID15788411
Molecular FormulaC13H8Br2Cl2
Molecular Weight394.92 g/mol
Exact Mass391.84
IUPAC Name1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene
SMILESClc1cc(Br)cc(Cc2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H8Br2Cl2/c14-10-2-8(4-12(16)6-10)1-9-3-11(15)7-13(17)5-9/h2-7H,1H2
InChIKeyGVLANCSDUPYTQX-UHFFFAOYSA-N
XLogP6.11
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 ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene?
The IUPAC name of 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene (CID 15788411) is 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene is Clc1cc(Br)cc(Cc2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene?
The InChIKey is GVLANCSDUPYTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2/c14-10-2-8(4-12(16)6-10)1-9-3-11(15)7-13(17)5-9/h2-7H,1H2.
What are the key properties of 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene?
1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene has a molecular weight of 394.92 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-bromo-5-chlorophenyl)methyl]-5-chlorobenzene is sourced from PubChem (CID 15788411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).