1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene

C11H2Cl10 — CID 10028465

IUPAC1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene
SMILESClCc1c(Cl)c(Cl)c2c(c1Cl)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl
InChIInChI=1S/C11H2Cl10/c12-1-2-5(13)3-4(7(15)6(2)14)11(20,21)9(17)8(16)10(3,18)19/h1H2
InChIKeyXZDNTUCQZLVWBM-UHFFFAOYSA-N
MW488.67 g/mol
LogP8.35
Rot. Bonds1

About 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene

1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene (PubChem CID 10028465) has the molecular formula C11H2Cl10 and a molecular weight of 488.67 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene
PubChem CID10028465
Molecular FormulaC11H2Cl10
Molecular Weight488.67 g/mol
Exact Mass483.70
IUPAC Name1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene
SMILESClCc1c(Cl)c(Cl)c2c(c1Cl)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl
InChIInChI=1S/C11H2Cl10/c12-1-2-5(13)3-4(7(15)6(2)14)11(20,21)9(17)8(16)10(3,18)19/h1H2
InChIKeyXZDNTUCQZLVWBM-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene?
The IUPAC name of 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene (CID 10028465) is 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene?
The canonical SMILES for 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene is ClCc1c(Cl)c(Cl)c2c(c1Cl)C(Cl)(Cl)C(Cl)=C(Cl)C2(Cl)Cl.
What is the InChIKey of 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene?
The InChIKey is XZDNTUCQZLVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl10/c12-1-2-5(13)3-4(7(15)6(2)14)11(20,21)9(17)8(16)10(3,18)19/h1H2.
What are the key properties of 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene?
1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene has a molecular weight of 488.67 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,8-nonachloro-7-(chloromethyl)naphthalene is sourced from PubChem (CID 10028465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).