6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene

C10H10BrCl — CID 18469942

IUPAC6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrCl/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10H,1-3H2
InChIKeyAGGLFVMRWUWTTL-UHFFFAOYSA-N
MW245.55 g/mol
LogP4.07
Rot. Bonds

About 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene

6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene (PubChem CID 18469942) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
PubChem CID18469942
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrCl/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10H,1-3H2
InChIKeyAGGLFVMRWUWTTL-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 54.07
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 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene (CID 18469942) is 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene is ClC1CCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AGGLFVMRWUWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10H,1-3H2.
What are the key properties of 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene?
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 245.55 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 18469942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).