7-bromo-1H-indene

C9H7Br — CID 13330209

IUPAC7-bromo-1H-indene
SMILESBrc1cccc2c1CC=C2
InChIInChI=1S/C9H7Br/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2
InChIKeyJTRQKQGKIYROIO-UHFFFAOYSA-N
MW195.06 g/mol
LogP3.02
Rot. Bonds

About 7-bromo-1H-indene

7-bromo-1H-indene (PubChem CID 13330209) has the molecular formula C9H7Br and a molecular weight of 195.06 g/mol. Its IUPAC name is 7-bromo-1H-indene.

Molecular Properties

Compound Name7-bromo-1H-indene
PubChem CID13330209
Molecular FormulaC9H7Br
Molecular Weight195.06 g/mol
Exact Mass193.97
IUPAC Name7-bromo-1H-indene
SMILESBrc1cccc2c1CC=C2
InChIInChI=1S/C9H7Br/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2
InChIKeyJTRQKQGKIYROIO-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indene?
The IUPAC name of 7-bromo-1H-indene (CID 13330209) is 7-bromo-1H-indene.
What is the SMILES notation for 7-bromo-1H-indene?
The canonical SMILES for 7-bromo-1H-indene is Brc1cccc2c1CC=C2.
What is the InChIKey of 7-bromo-1H-indene?
The InChIKey is JTRQKQGKIYROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2.
What are the key properties of 7-bromo-1H-indene?
7-bromo-1H-indene has a molecular weight of 195.06 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indene is sourced from PubChem (CID 13330209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).