9,10-bis(chloromethyl)anthracene

C16H12Cl2 — CID 25219

IUPAC9,10-bis(chloromethyl)anthracene
SMILESClCc1c2ccccc2c(CCl)c2ccccc12
InChIInChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyUOSROERWQJTVNU-UHFFFAOYSA-N
MW275.18 g/mol
LogP5.47
Rot. Bonds2

About 9,10-bis(chloromethyl)anthracene

9,10-bis(chloromethyl)anthracene (PubChem CID 25219) has the molecular formula C16H12Cl2 and a molecular weight of 275.18 g/mol. Its IUPAC name is 9,10-bis(chloromethyl)anthracene.

Molecular Properties

Compound Name9,10-bis(chloromethyl)anthracene
PubChem CID25219
Molecular FormulaC16H12Cl2
Molecular Weight275.18 g/mol
Exact Mass274.03
IUPAC Name9,10-bis(chloromethyl)anthracene
SMILESClCc1c2ccccc2c(CCl)c2ccccc12
InChIInChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyUOSROERWQJTVNU-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(chloromethyl)anthracene?
The IUPAC name of 9,10-bis(chloromethyl)anthracene (CID 25219) is 9,10-bis(chloromethyl)anthracene.
What is the SMILES notation for 9,10-bis(chloromethyl)anthracene?
The canonical SMILES for 9,10-bis(chloromethyl)anthracene is ClCc1c2ccccc2c(CCl)c2ccccc12.
What is the InChIKey of 9,10-bis(chloromethyl)anthracene?
The InChIKey is UOSROERWQJTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2.
What are the key properties of 9,10-bis(chloromethyl)anthracene?
9,10-bis(chloromethyl)anthracene has a molecular weight of 275.18 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(chloromethyl)anthracene is sourced from PubChem (CID 25219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).