1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene

C10H9BrCl2 — CID 79726788

IUPAC1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2c(Cl)cc(Cl)cc2C1Br
InChIInChI=1S/C10H9BrCl2/c1-5-2-7-8(10(5)11)3-6(12)4-9(7)13/h3-5,10H,2H2,1H3
InChIKeyPFJFWSDIIYACDO-UHFFFAOYSA-N
MW279.99 g/mol
LogP4.62
Rot. Bonds

About 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene

1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene (PubChem CID 79726788) has the molecular formula C10H9BrCl2 and a molecular weight of 279.99 g/mol. Its IUPAC name is 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene
PubChem CID79726788
Molecular FormulaC10H9BrCl2
Molecular Weight279.99 g/mol
Exact Mass277.93
IUPAC Name1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2c(Cl)cc(Cl)cc2C1Br
InChIInChI=1S/C10H9BrCl2/c1-5-2-7-8(10(5)11)3-6(12)4-9(7)13/h3-5,10H,2H2,1H3
InChIKeyPFJFWSDIIYACDO-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.99
LogP ≤ 54.62
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-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene (CID 79726788) is 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene is CC1Cc2c(Cl)cc(Cl)cc2C1Br.
What is the InChIKey of 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is PFJFWSDIIYACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2/c1-5-2-7-8(10(5)11)3-6(12)4-9(7)13/h3-5,10H,2H2,1H3.
What are the key properties of 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene?
1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 279.99 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,6-dichloro-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79726788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).