2,3-bis(bromomethyl)-1-chloronaphthalene

C12H9Br2Cl — CID 12953659

IUPAC2,3-bis(bromomethyl)-1-chloronaphthalene
SMILESClc1c(CBr)c(CBr)cc2ccccc12
InChIInChI=1S/C12H9Br2Cl/c13-6-9-5-8-3-1-2-4-10(8)12(15)11(9)7-14/h1-5H,6-7H2
InChIKeyGXQLVYQLMKMUCZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.28
Rot. Bonds2

About 2,3-bis(bromomethyl)-1-chloronaphthalene

2,3-bis(bromomethyl)-1-chloronaphthalene (PubChem CID 12953659) has the molecular formula C12H9Br2Cl and a molecular weight of 348.47 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)-1-chloronaphthalene.

Molecular Properties

Compound Name2,3-bis(bromomethyl)-1-chloronaphthalene
PubChem CID12953659
Molecular FormulaC12H9Br2Cl
Molecular Weight348.47 g/mol
Exact Mass345.88
IUPAC Name2,3-bis(bromomethyl)-1-chloronaphthalene
SMILESClc1c(CBr)c(CBr)cc2ccccc12
InChIInChI=1S/C12H9Br2Cl/c13-6-9-5-8-3-1-2-4-10(8)12(15)11(9)7-14/h1-5H,6-7H2
InChIKeyGXQLVYQLMKMUCZ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.28
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 2,3-bis(bromomethyl)-1-chloronaphthalene?
The IUPAC name of 2,3-bis(bromomethyl)-1-chloronaphthalene (CID 12953659) is 2,3-bis(bromomethyl)-1-chloronaphthalene.
What is the SMILES notation for 2,3-bis(bromomethyl)-1-chloronaphthalene?
The canonical SMILES for 2,3-bis(bromomethyl)-1-chloronaphthalene is Clc1c(CBr)c(CBr)cc2ccccc12.
What is the InChIKey of 2,3-bis(bromomethyl)-1-chloronaphthalene?
The InChIKey is GXQLVYQLMKMUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2Cl/c13-6-9-5-8-3-1-2-4-10(8)12(15)11(9)7-14/h1-5H,6-7H2.
What are the key properties of 2,3-bis(bromomethyl)-1-chloronaphthalene?
2,3-bis(bromomethyl)-1-chloronaphthalene has a molecular weight of 348.47 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)-1-chloronaphthalene is sourced from PubChem (CID 12953659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).