1,2-dichloro-4-methylbenzene;zinc

C7H6Cl2Zn — CID 174694337

IUPAC1,2-dichloro-4-methylbenzene;zinc
SMILESCc1ccc(Cl)c(Cl)c1.[Zn]
InChIInChI=1S/C7H6Cl2.Zn/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H3;
InChIKeyBEENFMIUBWGNHY-UHFFFAOYSA-N
MW226.42 g/mol
LogP3.30
Rot. Bonds

About 1,2-dichloro-4-methylbenzene;zinc

1,2-dichloro-4-methylbenzene;zinc (PubChem CID 174694337) has the molecular formula C7H6Cl2Zn and a molecular weight of 226.42 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene;zinc.

Molecular Properties

Compound Name1,2-dichloro-4-methylbenzene;zinc
PubChem CID174694337
Molecular FormulaC7H6Cl2Zn
Molecular Weight226.42 g/mol
Exact Mass223.91
IUPAC Name1,2-dichloro-4-methylbenzene;zinc
SMILESCc1ccc(Cl)c(Cl)c1.[Zn]
InChIInChI=1S/C7H6Cl2.Zn/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H3;
InChIKeyBEENFMIUBWGNHY-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-methylbenzene;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
2,3-dichloro-6-methylnaphthalene
CID 21366530
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane
CID 161023887
2-chloro-4-methylaniline
CID 12007
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
2-chloro-N,N,4-trimethylaniline
CID 4099980
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methylbenzene;zinc?
The IUPAC name of 1,2-dichloro-4-methylbenzene;zinc (CID 174694337) is 1,2-dichloro-4-methylbenzene;zinc.
What is the SMILES notation for 1,2-dichloro-4-methylbenzene;zinc?
The canonical SMILES for 1,2-dichloro-4-methylbenzene;zinc is Cc1ccc(Cl)c(Cl)c1.[Zn].
What is the InChIKey of 1,2-dichloro-4-methylbenzene;zinc?
The InChIKey is BEENFMIUBWGNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.Zn/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H3;.
What are the key properties of 1,2-dichloro-4-methylbenzene;zinc?
1,2-dichloro-4-methylbenzene;zinc has a molecular weight of 226.42 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methylbenzene;zinc is sourced from PubChem (CID 174694337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).