2,3,6,7-tetrachloroanthracene

C14H6Cl4 — CID 123956225

IUPAC2,3,6,7-tetrachloroanthracene
SMILESClc1cc2cc3cc(Cl)c(Cl)cc3cc2cc1Cl
InChIInChI=1S/C14H6Cl4/c15-11-3-7-1-8-4-12(16)14(18)6-10(8)2-9(7)5-13(11)17/h1-6H
InChIKeyVPNMYNHJUBCOHA-UHFFFAOYSA-N
MW316.01 g/mol
LogP6.61
Rot. Bonds

About 2,3,6,7-tetrachloroanthracene

2,3,6,7-tetrachloroanthracene (PubChem CID 123956225) has the molecular formula C14H6Cl4 and a molecular weight of 316.01 g/mol. Its IUPAC name is 2,3,6,7-tetrachloroanthracene.

Molecular Properties

Compound Name2,3,6,7-tetrachloroanthracene
PubChem CID123956225
Molecular FormulaC14H6Cl4
Molecular Weight316.01 g/mol
Exact Mass313.92
IUPAC Name2,3,6,7-tetrachloroanthracene
SMILESClc1cc2cc3cc(Cl)c(Cl)cc3cc2cc1Cl
InChIInChI=1S/C14H6Cl4/c15-11-3-7-1-8-4-12(16)14(18)6-10(8)2-9(7)5-13(11)17/h1-6H
InChIKeyVPNMYNHJUBCOHA-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.01
LogP ≤ 56.61
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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Related Compounds

1,2-Dichloronaphthalene
CID 16309
Pyrene, 1,3,6,8-tetrachloro-
CID 66473
2-Chloroanthracene
CID 28308
9-Chloroanthracene
CID 69744
9,10-Dichloroanthracene
CID 11800
2,3-Dichloronaphthalene
CID 16312
1-Chloroanthracene
CID 39740
1-Chloropyrene
CID 36730
9-Chlorophenanthrene
CID 13694
1,8-Dichloro-10-methyl-anthracene
CID 4071761
2,3,6,7-Tetrachloronaphthalene
CID 108070
2,3-Dichloroanthracene
CID 618892

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrachloroanthracene?
The IUPAC name of 2,3,6,7-tetrachloroanthracene (CID 123956225) is 2,3,6,7-tetrachloroanthracene.
What is the SMILES notation for 2,3,6,7-tetrachloroanthracene?
The canonical SMILES for 2,3,6,7-tetrachloroanthracene is Clc1cc2cc3cc(Cl)c(Cl)cc3cc2cc1Cl.
What is the InChIKey of 2,3,6,7-tetrachloroanthracene?
The InChIKey is VPNMYNHJUBCOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4/c15-11-3-7-1-8-4-12(16)14(18)6-10(8)2-9(7)5-13(11)17/h1-6H.
What are the key properties of 2,3,6,7-tetrachloroanthracene?
2,3,6,7-tetrachloroanthracene has a molecular weight of 316.01 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrachloroanthracene is sourced from PubChem (CID 123956225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).