9,10-bis(bromomethyl)anthracene

C16H12Br2 — CID 609355

IUPAC9,10-bis(bromomethyl)anthracene
SMILESBrCc1c2ccccc2c(CBr)c2ccccc12
InChIInChI=1S/C16H12Br2/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
InChIKeyYHEMDXGFCREMGG-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.78
Rot. Bonds2

About 9,10-bis(bromomethyl)anthracene

9,10-bis(bromomethyl)anthracene (PubChem CID 609355) has the molecular formula C16H12Br2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 9,10-bis(bromomethyl)anthracene.

Molecular Properties

Compound Name9,10-bis(bromomethyl)anthracene
PubChem CID609355
Molecular FormulaC16H12Br2
Molecular Weight364.08 g/mol
Exact Mass361.93
IUPAC Name9,10-bis(bromomethyl)anthracene
SMILESBrCc1c2ccccc2c(CBr)c2ccccc12
InChIInChI=1S/C16H12Br2/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
InChIKeyYHEMDXGFCREMGG-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.78
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(bromomethyl)anthracene?
The IUPAC name of 9,10-bis(bromomethyl)anthracene (CID 609355) is 9,10-bis(bromomethyl)anthracene.
What is the SMILES notation for 9,10-bis(bromomethyl)anthracene?
The canonical SMILES for 9,10-bis(bromomethyl)anthracene is BrCc1c2ccccc2c(CBr)c2ccccc12.
What is the InChIKey of 9,10-bis(bromomethyl)anthracene?
The InChIKey is YHEMDXGFCREMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2/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(bromomethyl)anthracene?
9,10-bis(bromomethyl)anthracene has a molecular weight of 364.08 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(bromomethyl)anthracene is sourced from PubChem (CID 609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).