benzene;1,2-dichloroethane

C8H10Cl2 — CID 6453035

IUPACbenzene;1,2-dichloroethane
SMILESClCCCl.c1ccccc1
InChIInChI=1S/C6H6.C2H4Cl2/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;1-2H2
InChIKeyPFADHNZAIFSXCK-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.15
Rot. Bonds1

About benzene;1,2-dichloroethane

benzene;1,2-dichloroethane (PubChem CID 6453035) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is benzene;1,2-dichloroethane.

Molecular Properties

Compound Namebenzene;1,2-dichloroethane
PubChem CID6453035
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Namebenzene;1,2-dichloroethane
SMILESClCCCl.c1ccccc1
InChIInChI=1S/C6H6.C2H4Cl2/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;1-2H2
InChIKeyPFADHNZAIFSXCK-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.15
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 benzene;1,2-dichloroethane?
The IUPAC name of benzene;1,2-dichloroethane (CID 6453035) is benzene;1,2-dichloroethane.
What is the SMILES notation for benzene;1,2-dichloroethane?
The canonical SMILES for benzene;1,2-dichloroethane is ClCCCl.c1ccccc1.
What is the InChIKey of benzene;1,2-dichloroethane?
The InChIKey is PFADHNZAIFSXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H4Cl2/c1-2-4-6-5-3-1;3-1-2-4/h1-6H;1-2H2.
What are the key properties of benzene;1,2-dichloroethane?
benzene;1,2-dichloroethane has a molecular weight of 177.07 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-dichloroethane is sourced from PubChem (CID 6453035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).