1,6,7-trichlorobiphenylene

C12H5Cl3 — CID 101459961

IUPAC1,6,7-trichlorobiphenylene
SMILESClc1cc2c(cc1Cl)-c1c(Cl)cccc1-2
InChIInChI=1S/C12H5Cl3/c13-9-3-1-2-6-7-4-10(14)11(15)5-8(7)12(6)9/h1-5H
InChIKeyKCIOHXRCFFLXAE-UHFFFAOYSA-N
MW255.53 g/mol
LogP5.29
Rot. Bonds

About 1,6,7-trichlorobiphenylene

1,6,7-trichlorobiphenylene (PubChem CID 101459961) has the molecular formula C12H5Cl3 and a molecular weight of 255.53 g/mol. Its IUPAC name is 1,6,7-trichlorobiphenylene.

Molecular Properties

Compound Name1,6,7-trichlorobiphenylene
PubChem CID101459961
Molecular FormulaC12H5Cl3
Molecular Weight255.53 g/mol
Exact Mass253.95
IUPAC Name1,6,7-trichlorobiphenylene
SMILESClc1cc2c(cc1Cl)-c1c(Cl)cccc1-2
InChIInChI=1S/C12H5Cl3/c13-9-3-1-2-6-7-4-10(14)11(15)5-8(7)12(6)9/h1-5H
InChIKeyKCIOHXRCFFLXAE-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trichlorobiphenylene?
The IUPAC name of 1,6,7-trichlorobiphenylene (CID 101459961) is 1,6,7-trichlorobiphenylene.
What is the SMILES notation for 1,6,7-trichlorobiphenylene?
The canonical SMILES for 1,6,7-trichlorobiphenylene is Clc1cc2c(cc1Cl)-c1c(Cl)cccc1-2.
What is the InChIKey of 1,6,7-trichlorobiphenylene?
The InChIKey is KCIOHXRCFFLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3/c13-9-3-1-2-6-7-4-10(14)11(15)5-8(7)12(6)9/h1-5H.
What are the key properties of 1,6,7-trichlorobiphenylene?
1,6,7-trichlorobiphenylene has a molecular weight of 255.53 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trichlorobiphenylene is sourced from PubChem (CID 101459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).