1,2-dichlorobenzene;1,1-dimethylurea

C9H12Cl2N2O — CID 161139113

IUPAC1,2-dichlorobenzene;1,1-dimethylurea
SMILESCN(C)C(N)=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C3H8N2O/c7-5-3-1-2-4-6(5)8;1-5(2)3(4)6/h1-4H;1-2H3,(H2,4,6)
InChIKeyUNERATQVYQOLEH-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.62
Rot. Bonds

About 1,2-dichlorobenzene;1,1-dimethylurea

1,2-dichlorobenzene;1,1-dimethylurea (PubChem CID 161139113) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 1,2-dichlorobenzene;1,1-dimethylurea.

Molecular Properties

Compound Name1,2-dichlorobenzene;1,1-dimethylurea
PubChem CID161139113
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name1,2-dichlorobenzene;1,1-dimethylurea
SMILESCN(C)C(N)=O.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C3H8N2O/c7-5-3-1-2-4-6(5)8;1-5(2)3(4)6/h1-4H;1-2H3,(H2,4,6)
InChIKeyUNERATQVYQOLEH-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;1,1-dimethylurea?
The IUPAC name of 1,2-dichlorobenzene;1,1-dimethylurea (CID 161139113) is 1,2-dichlorobenzene;1,1-dimethylurea.
What is the SMILES notation for 1,2-dichlorobenzene;1,1-dimethylurea?
The canonical SMILES for 1,2-dichlorobenzene;1,1-dimethylurea is CN(C)C(N)=O.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;1,1-dimethylurea?
The InChIKey is UNERATQVYQOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C3H8N2O/c7-5-3-1-2-4-6(5)8;1-5(2)3(4)6/h1-4H;1-2H3,(H2,4,6).
What are the key properties of 1,2-dichlorobenzene;1,1-dimethylurea?
1,2-dichlorobenzene;1,1-dimethylurea has a molecular weight of 235.11 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;1,1-dimethylurea is sourced from PubChem (CID 161139113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).