1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene

C20H12Br2Cl2 — CID 159979643

IUPAC1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
SMILESClc1c(Br)ccc2ccccc12.Clc1ccc2ccccc2c1Br
InChIInChI=1S/2C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6H
InChIKeyOFPBBFQQULDTLH-UHFFFAOYSA-N
MW483.03 g/mol
LogP8.51
Rot. Bonds

About 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene

1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene (PubChem CID 159979643) has the molecular formula C20H12Br2Cl2 and a molecular weight of 483.03 g/mol. Its IUPAC name is 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene.

Molecular Properties

Compound Name1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
PubChem CID159979643
Molecular FormulaC20H12Br2Cl2
Molecular Weight483.03 g/mol
Exact Mass479.87
IUPAC Name1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene
SMILESClc1c(Br)ccc2ccccc12.Clc1ccc2ccccc2c1Br
InChIInChI=1S/2C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6H
InChIKeyOFPBBFQQULDTLH-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-chloronaphthalene-1-carbaldehyde
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CID 90833242
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene?
The IUPAC name of 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene (CID 159979643) is 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene.
What is the SMILES notation for 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene?
The canonical SMILES for 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene is Clc1c(Br)ccc2ccccc12.Clc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene?
The InChIKey is OFPBBFQQULDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6H.
What are the key properties of 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene?
1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene has a molecular weight of 483.03 g/mol, XLogP of 8.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloronaphthalene;2-bromo-1-chloronaphthalene is sourced from PubChem (CID 159979643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).