1,4-dibromo-2,3-dihydro-1H-indene

C9H8Br2 — CID 63272450

IUPAC1,4-dibromo-2,3-dihydro-1H-indene
SMILESBrc1cccc2c1CCC2Br
InChIInChI=1S/C9H8Br2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9H,4-5H2
InChIKeyARDGFXDMQRDWGK-UHFFFAOYSA-N
MW275.97 g/mol
LogP3.83
Rot. Bonds

About 1,4-dibromo-2,3-dihydro-1H-indene

1,4-dibromo-2,3-dihydro-1H-indene (PubChem CID 63272450) has the molecular formula C9H8Br2 and a molecular weight of 275.97 g/mol. Its IUPAC name is 1,4-dibromo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,4-dibromo-2,3-dihydro-1H-indene
PubChem CID63272450
Molecular FormulaC9H8Br2
Molecular Weight275.97 g/mol
Exact Mass273.90
IUPAC Name1,4-dibromo-2,3-dihydro-1H-indene
SMILESBrc1cccc2c1CCC2Br
InChIInChI=1S/C9H8Br2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9H,4-5H2
InChIKeyARDGFXDMQRDWGK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.97
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,3-dihydro-1H-indene?
The IUPAC name of 1,4-dibromo-2,3-dihydro-1H-indene (CID 63272450) is 1,4-dibromo-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,4-dibromo-2,3-dihydro-1H-indene?
The canonical SMILES for 1,4-dibromo-2,3-dihydro-1H-indene is Brc1cccc2c1CCC2Br.
What is the InChIKey of 1,4-dibromo-2,3-dihydro-1H-indene?
The InChIKey is ARDGFXDMQRDWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9H,4-5H2.
What are the key properties of 1,4-dibromo-2,3-dihydro-1H-indene?
1,4-dibromo-2,3-dihydro-1H-indene has a molecular weight of 275.97 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,3-dihydro-1H-indene is sourced from PubChem (CID 63272450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).