9,10-dichloroanthracene

C14H8Cl2 — CID 11800

IUPAC9,10-dichloroanthracene
SMILESClc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKeyFKDIWXZNKAZCBY-UHFFFAOYSA-N
MW247.12 g/mol
LogP5.30
Rot. Bonds

About 9,10-dichloroanthracene

9,10-dichloroanthracene (PubChem CID 11800) has the molecular formula C14H8Cl2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 9,10-dichloroanthracene.

Molecular Properties

Compound Name9,10-dichloroanthracene
PubChem CID11800
Molecular FormulaC14H8Cl2
Molecular Weight247.12 g/mol
Exact Mass246.00
IUPAC Name9,10-dichloroanthracene
SMILESClc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKeyFKDIWXZNKAZCBY-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.12
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dichloroanthracene?
The IUPAC name of 9,10-dichloroanthracene (CID 11800) is 9,10-dichloroanthracene.
What is the SMILES notation for 9,10-dichloroanthracene?
The canonical SMILES for 9,10-dichloroanthracene is Clc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 9,10-dichloroanthracene?
The InChIKey is FKDIWXZNKAZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H.
What are the key properties of 9,10-dichloroanthracene?
9,10-dichloroanthracene has a molecular weight of 247.12 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dichloroanthracene is sourced from PubChem (CID 11800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).