9-bromo-10-chlorophenanthrene

C14H8BrCl — CID 158633273

IUPAC9-bromo-10-chlorophenanthrene
SMILESClc1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C14H8BrCl/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKeyHZLMADJNFPHHIG-UHFFFAOYSA-N
MW291.57 g/mol
LogP5.41
Rot. Bonds

About 9-bromo-10-chlorophenanthrene

9-bromo-10-chlorophenanthrene (PubChem CID 158633273) has the molecular formula C14H8BrCl and a molecular weight of 291.57 g/mol. Its IUPAC name is 9-bromo-10-chlorophenanthrene.

Molecular Properties

Compound Name9-bromo-10-chlorophenanthrene
PubChem CID158633273
Molecular FormulaC14H8BrCl
Molecular Weight291.57 g/mol
Exact Mass289.95
IUPAC Name9-bromo-10-chlorophenanthrene
SMILESClc1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C14H8BrCl/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKeyHZLMADJNFPHHIG-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-chlorophenanthrene?
The IUPAC name of 9-bromo-10-chlorophenanthrene (CID 158633273) is 9-bromo-10-chlorophenanthrene.
What is the SMILES notation for 9-bromo-10-chlorophenanthrene?
The canonical SMILES for 9-bromo-10-chlorophenanthrene is Clc1c(Br)c2ccccc2c2ccccc12.
What is the InChIKey of 9-bromo-10-chlorophenanthrene?
The InChIKey is HZLMADJNFPHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H.
What are the key properties of 9-bromo-10-chlorophenanthrene?
9-bromo-10-chlorophenanthrene 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-10-chlorophenanthrene is sourced from PubChem (CID 158633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).