4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene

C10H10BrCl — CID 165478021

IUPAC4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene
SMILESClc1ccc(CBr)c2c1CCC2
InChIInChI=1S/C10H10BrCl/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4-5H,1-3,6H2
InChIKeyMMWYATRDMXMMFW-UHFFFAOYSA-N
MW245.55 g/mol
LogP3.72
Rot. Bonds1

About 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene

4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene (PubChem CID 165478021) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene
PubChem CID165478021
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene
SMILESClc1ccc(CBr)c2c1CCC2
InChIInChI=1S/C10H10BrCl/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4-5H,1-3,6H2
InChIKeyMMWYATRDMXMMFW-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 53.72
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 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene?
The IUPAC name of 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene (CID 165478021) is 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene is Clc1ccc(CBr)c2c1CCC2.
What is the InChIKey of 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene?
The InChIKey is MMWYATRDMXMMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4-5H,1-3,6H2.
What are the key properties of 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene?
4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene has a molecular weight of 245.55 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 165478021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).