4-bromo-5-chloro-1,3-dihydroinden-2-one

C9H6BrClO — CID 170331387

IUPAC4-bromo-5-chloro-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Cl)c(Br)c2C1
InChIInChI=1S/C9H6BrClO/c10-9-7-4-6(12)3-5(7)1-2-8(9)11/h1-2H,3-4H2
InChIKeyCQCLUGMLXVKIPQ-UHFFFAOYSA-N
MW245.50 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-5-chloro-1,3-dihydroinden-2-one

4-bromo-5-chloro-1,3-dihydroinden-2-one (PubChem CID 170331387) has the molecular formula C9H6BrClO and a molecular weight of 245.50 g/mol. Its IUPAC name is 4-bromo-5-chloro-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name4-bromo-5-chloro-1,3-dihydroinden-2-one
PubChem CID170331387
Molecular FormulaC9H6BrClO
Molecular Weight245.50 g/mol
Exact Mass243.93
IUPAC Name4-bromo-5-chloro-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Cl)c(Br)c2C1
InChIInChI=1S/C9H6BrClO/c10-9-7-4-6(12)3-5(7)1-2-8(9)11/h1-2H,3-4H2
InChIKeyCQCLUGMLXVKIPQ-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1,3-dihydroinden-2-one?
The IUPAC name of 4-bromo-5-chloro-1,3-dihydroinden-2-one (CID 170331387) is 4-bromo-5-chloro-1,3-dihydroinden-2-one.
What is the SMILES notation for 4-bromo-5-chloro-1,3-dihydroinden-2-one?
The canonical SMILES for 4-bromo-5-chloro-1,3-dihydroinden-2-one is O=C1Cc2ccc(Cl)c(Br)c2C1.
What is the InChIKey of 4-bromo-5-chloro-1,3-dihydroinden-2-one?
The InChIKey is CQCLUGMLXVKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO/c10-9-7-4-6(12)3-5(7)1-2-8(9)11/h1-2H,3-4H2.
What are the key properties of 4-bromo-5-chloro-1,3-dihydroinden-2-one?
4-bromo-5-chloro-1,3-dihydroinden-2-one has a molecular weight of 245.50 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1,3-dihydroinden-2-one is sourced from PubChem (CID 170331387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).