1,2,4-trichloroanthracene

C14H7Cl3 — CID 123482034

IUPAC1,2,4-trichloroanthracene
SMILESClc1cc(Cl)c2cc3ccccc3cc2c1Cl
InChIInChI=1S/C14H7Cl3/c15-12-7-13(16)14(17)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-7H
InChIKeyRPKZUUXOSANKSY-UHFFFAOYSA-N
MW281.57 g/mol
LogP5.95
Rot. Bonds

About 1,2,4-trichloroanthracene

1,2,4-trichloroanthracene (PubChem CID 123482034) has the molecular formula C14H7Cl3 and a molecular weight of 281.57 g/mol. Its IUPAC name is 1,2,4-trichloroanthracene.

Molecular Properties

Compound Name1,2,4-trichloroanthracene
PubChem CID123482034
Molecular FormulaC14H7Cl3
Molecular Weight281.57 g/mol
Exact Mass279.96
IUPAC Name1,2,4-trichloroanthracene
SMILESClc1cc(Cl)c2cc3ccccc3cc2c1Cl
InChIInChI=1S/C14H7Cl3/c15-12-7-13(16)14(17)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-7H
InChIKeyRPKZUUXOSANKSY-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloroanthracene
CID 3497125
5,12-dichlorotetracene
CID 87498157
1,2,3,4-tetrachloropentacene
CID 87495086
1,2,10-trichloroanthracene
CID 123180958
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
1-chlorohexacene
CID 87838951
1,2,5,6-tetrachloroanthracene
CID 123825031
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
2-chlorotetracen-1-amine
CID 175491990
1,2-dichlorobenzene;naphthalene
CID 162050769
10-chlorobenzo[b]triphenylene
CID 15449469
2-chlorobenzo[a]anthracene
CID 23367240

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloroanthracene?
The IUPAC name of 1,2,4-trichloroanthracene (CID 123482034) is 1,2,4-trichloroanthracene.
What is the SMILES notation for 1,2,4-trichloroanthracene?
The canonical SMILES for 1,2,4-trichloroanthracene is Clc1cc(Cl)c2cc3ccccc3cc2c1Cl.
What is the InChIKey of 1,2,4-trichloroanthracene?
The InChIKey is RPKZUUXOSANKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3/c15-12-7-13(16)14(17)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-7H.
What are the key properties of 1,2,4-trichloroanthracene?
1,2,4-trichloroanthracene has a molecular weight of 281.57 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloroanthracene is sourced from PubChem (CID 123482034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).