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

C9H9Br — CID 11745586

IUPAC4-bromo-2,3-dihydro-1H-indene
SMILESBrc1cccc2c1CCC2
InChIInChI=1S/C9H9Br/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChIKeyJCQMGSFTMQWFPE-UHFFFAOYSA-N
MW197.08 g/mol
LogP2.94
Rot. Bonds

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

4-bromo-2,3-dihydro-1H-indene (PubChem CID 11745586) has the molecular formula C9H9Br and a molecular weight of 197.08 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-indene
PubChem CID11745586
Molecular FormulaC9H9Br
Molecular Weight197.08 g/mol
Exact Mass195.99
IUPAC Name4-bromo-2,3-dihydro-1H-indene
SMILESBrc1cccc2c1CCC2
InChIInChI=1S/C9H9Br/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChIKeyJCQMGSFTMQWFPE-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-2,3-dihydro-1H-indene (CID 11745586) is 4-bromo-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-indene is Brc1cccc2c1CCC2.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-indene?
The InChIKey is JCQMGSFTMQWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2.
What are the key properties of 4-bromo-2,3-dihydro-1H-indene?
4-bromo-2,3-dihydro-1H-indene has a molecular weight of 197.08 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydro-1H-indene is sourced from PubChem (CID 11745586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).