1,2,10-trichloroanthracene

C14H7Cl3 — CID 123180958

IUPAC1,2,10-trichloroanthracene
SMILESClc1ccc2c(Cl)c3ccccc3cc2c1Cl
InChIInChI=1S/C14H7Cl3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7H
InChIKeySZOYSRZXSQIJGS-UHFFFAOYSA-N
MW281.57 g/mol
LogP5.95
Rot. Bonds

About 1,2,10-trichloroanthracene

1,2,10-trichloroanthracene (PubChem CID 123180958) has the molecular formula C14H7Cl3 and a molecular weight of 281.57 g/mol. Its IUPAC name is 1,2,10-trichloroanthracene.

Molecular Properties

Compound Name1,2,10-trichloroanthracene
PubChem CID123180958
Molecular FormulaC14H7Cl3
Molecular Weight281.57 g/mol
Exact Mass279.96
IUPAC Name1,2,10-trichloroanthracene
SMILESClc1ccc2c(Cl)c3ccccc3cc2c1Cl
InChIInChI=1S/C14H7Cl3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7H
InChIKeySZOYSRZXSQIJGS-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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,12-dichlorotetracene
CID 87498157
1,2,5,6-tetrachloroanthracene
CID 123825031
1,2,4-trichloroanthracene
CID 123482034
1,4-dichloroanthracene
CID 3497125
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
1,2,3,4-tetrachloropentacene
CID 87495086
9-chloroanthracen-2-amine
CID 44724752
10-chlorobenzo[b]triphenylene
CID 15449469
7,10,26,29,45,48-hexachlorohexadecacyclo[40.15.1.14,12.123,31.02,41.03,21.06,11.013,18.022,40.025,30.032,37.044,49.050,58.051,56.020,60.039,59]hexaconta-1(57),2,4,6,8,10,12(60),13,15,17,19,21,23,25,27,29,31(59),32,34,36,38,40,42,44,46,48,50(58),51,53,55-triacontaene
CID 102026599
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
1-chlorohexacene
CID 87838951

Frequently Asked Questions

What is the IUPAC name of 1,2,10-trichloroanthracene?
The IUPAC name of 1,2,10-trichloroanthracene (CID 123180958) is 1,2,10-trichloroanthracene.
What is the SMILES notation for 1,2,10-trichloroanthracene?
The canonical SMILES for 1,2,10-trichloroanthracene is Clc1ccc2c(Cl)c3ccccc3cc2c1Cl.
What is the InChIKey of 1,2,10-trichloroanthracene?
The InChIKey is SZOYSRZXSQIJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7H.
What are the key properties of 1,2,10-trichloroanthracene?
1,2,10-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 1,2,10-trichloroanthracene is sourced from PubChem (CID 123180958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).