10-bromo-1,8-dichloroanthracene

C14H7BrCl2 — CID 15939690

IUPAC10-bromo-1,8-dichloroanthracene
SMILESClc1cccc2c(Br)c3cccc(Cl)c3cc12
InChIInChI=1S/C14H7BrCl2/c15-14-8-3-1-5-12(16)10(8)7-11-9(14)4-2-6-13(11)17/h1-7H
InChIKeyXZLPQPYJGAVYGJ-UHFFFAOYSA-N
MW326.02 g/mol
LogP6.06
Rot. Bonds

About 10-bromo-1,8-dichloroanthracene

10-bromo-1,8-dichloroanthracene (PubChem CID 15939690) has the molecular formula C14H7BrCl2 and a molecular weight of 326.02 g/mol. Its IUPAC name is 10-bromo-1,8-dichloroanthracene.

Molecular Properties

Compound Name10-bromo-1,8-dichloroanthracene
PubChem CID15939690
Molecular FormulaC14H7BrCl2
Molecular Weight326.02 g/mol
Exact Mass323.91
IUPAC Name10-bromo-1,8-dichloroanthracene
SMILESClc1cccc2c(Br)c3cccc(Cl)c3cc12
InChIInChI=1S/C14H7BrCl2/c15-14-8-3-1-5-12(16)10(8)7-11-9(14)4-2-6-13(11)17/h1-7H
InChIKeyXZLPQPYJGAVYGJ-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.02
LogP ≤ 56.06
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 10-bromo-1,8-dichloroanthracene?
The IUPAC name of 10-bromo-1,8-dichloroanthracene (CID 15939690) is 10-bromo-1,8-dichloroanthracene.
What is the SMILES notation for 10-bromo-1,8-dichloroanthracene?
The canonical SMILES for 10-bromo-1,8-dichloroanthracene is Clc1cccc2c(Br)c3cccc(Cl)c3cc12.
What is the InChIKey of 10-bromo-1,8-dichloroanthracene?
The InChIKey is XZLPQPYJGAVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2/c15-14-8-3-1-5-12(16)10(8)7-11-9(14)4-2-6-13(11)17/h1-7H.
What are the key properties of 10-bromo-1,8-dichloroanthracene?
10-bromo-1,8-dichloroanthracene has a molecular weight of 326.02 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1,8-dichloroanthracene is sourced from PubChem (CID 15939690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).