1,2-dibromo-4-(4-bromophenyl)benzene

C12H7Br3 — CID 3014518

IUPAC1,2-dibromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C12H7Br3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H
InChIKeyBYQYWRHKDIPDTI-UHFFFAOYSA-N
MW390.90 g/mol
LogP5.64
Rot. Bonds1

About 1,2-dibromo-4-(4-bromophenyl)benzene

1,2-dibromo-4-(4-bromophenyl)benzene (PubChem CID 3014518) has the molecular formula C12H7Br3 and a molecular weight of 390.90 g/mol. Its IUPAC name is 1,2-dibromo-4-(4-bromophenyl)benzene.

Molecular Properties

Compound Name1,2-dibromo-4-(4-bromophenyl)benzene
PubChem CID3014518
Molecular FormulaC12H7Br3
Molecular Weight390.90 g/mol
Exact Mass387.81
IUPAC Name1,2-dibromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C12H7Br3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H
InChIKeyBYQYWRHKDIPDTI-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(4-bromophenyl)benzene?
The IUPAC name of 1,2-dibromo-4-(4-bromophenyl)benzene (CID 3014518) is 1,2-dibromo-4-(4-bromophenyl)benzene.
What is the SMILES notation for 1,2-dibromo-4-(4-bromophenyl)benzene?
The canonical SMILES for 1,2-dibromo-4-(4-bromophenyl)benzene is Brc1ccc(-c2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of 1,2-dibromo-4-(4-bromophenyl)benzene?
The InChIKey is BYQYWRHKDIPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H.
What are the key properties of 1,2-dibromo-4-(4-bromophenyl)benzene?
1,2-dibromo-4-(4-bromophenyl)benzene has a molecular weight of 390.90 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-(4-bromophenyl)benzene is sourced from PubChem (CID 3014518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).