1,2-dichlorobiphenylene

C12H6Cl2 — CID 3036853

IUPAC1,2-dichlorobiphenylene
SMILESClc1ccc2c(c1Cl)-c1ccccc1-2
InChIInChI=1S/C12H6Cl2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-6H
InChIKeyQLJQRLSANDAISC-UHFFFAOYSA-N
MW221.09 g/mol
LogP4.64
Rot. Bonds

About 1,2-dichlorobiphenylene

1,2-dichlorobiphenylene (PubChem CID 3036853) has the molecular formula C12H6Cl2 and a molecular weight of 221.09 g/mol. Its IUPAC name is 1,2-dichlorobiphenylene.

Molecular Properties

Compound Name1,2-dichlorobiphenylene
PubChem CID3036853
Molecular FormulaC12H6Cl2
Molecular Weight221.09 g/mol
Exact Mass219.98
IUPAC Name1,2-dichlorobiphenylene
SMILESClc1ccc2c(c1Cl)-c1ccccc1-2
InChIInChI=1S/C12H6Cl2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-6H
InChIKeyQLJQRLSANDAISC-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobiphenylene?
The IUPAC name of 1,2-dichlorobiphenylene (CID 3036853) is 1,2-dichlorobiphenylene.
What is the SMILES notation for 1,2-dichlorobiphenylene?
The canonical SMILES for 1,2-dichlorobiphenylene is Clc1ccc2c(c1Cl)-c1ccccc1-2.
What is the InChIKey of 1,2-dichlorobiphenylene?
The InChIKey is QLJQRLSANDAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-6H.
What are the key properties of 1,2-dichlorobiphenylene?
1,2-dichlorobiphenylene has a molecular weight of 221.09 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobiphenylene is sourced from PubChem (CID 3036853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).