9-bromo-1-chloroanthracene

C14H8BrCl — CID 165359177

IUPAC9-bromo-1-chloroanthracene
SMILESClc1cccc2cc3ccccc3c(Br)c12
InChIInChI=1S/C14H8BrCl/c15-14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)14/h1-8H
InChIKeyMTSGCJVKJXRHFP-UHFFFAOYSA-N
MW291.57 g/mol
LogP5.41
Rot. Bonds

About 9-bromo-1-chloroanthracene

9-bromo-1-chloroanthracene (PubChem CID 165359177) has the molecular formula C14H8BrCl and a molecular weight of 291.57 g/mol. Its IUPAC name is 9-bromo-1-chloroanthracene.

Molecular Properties

Compound Name9-bromo-1-chloroanthracene
PubChem CID165359177
Molecular FormulaC14H8BrCl
Molecular Weight291.57 g/mol
Exact Mass289.95
IUPAC Name9-bromo-1-chloroanthracene
SMILESClc1cccc2cc3ccccc3c(Br)c12
InChIInChI=1S/C14H8BrCl/c15-14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)14/h1-8H
InChIKeyMTSGCJVKJXRHFP-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.57
LogP ≤ 55.41
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-bromo-1-chloroanthracene?
The IUPAC name of 9-bromo-1-chloroanthracene (CID 165359177) is 9-bromo-1-chloroanthracene.
What is the SMILES notation for 9-bromo-1-chloroanthracene?
The canonical SMILES for 9-bromo-1-chloroanthracene is Clc1cccc2cc3ccccc3c(Br)c12.
What is the InChIKey of 9-bromo-1-chloroanthracene?
The InChIKey is MTSGCJVKJXRHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl/c15-14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)14/h1-8H.
What are the key properties of 9-bromo-1-chloroanthracene?
9-bromo-1-chloroanthracene has a molecular weight of 291.57 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1-chloroanthracene is sourced from PubChem (CID 165359177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).