3,4-dichloroaniline;1,2-xylene

C14H15Cl2N — CID 174872012

IUPAC3,4-dichloroaniline;1,2-xylene
SMILESCc1ccccc1C.Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10.C6H5Cl2N/c1-7-5-3-4-6-8(7)2;7-5-2-1-4(9)3-6(5)8/h3-6H,1-2H3;1-3H,9H2
InChIKeyQLJOQUMLBCXKRM-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.88
Rot. Bonds

About 3,4-dichloroaniline;1,2-xylene

3,4-dichloroaniline;1,2-xylene (PubChem CID 174872012) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 3,4-dichloroaniline;1,2-xylene.

Molecular Properties

Compound Name3,4-dichloroaniline;1,2-xylene
PubChem CID174872012
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name3,4-dichloroaniline;1,2-xylene
SMILESCc1ccccc1C.Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10.C6H5Cl2N/c1-7-5-3-4-6-8(7)2;7-5-2-1-4(9)3-6(5)8/h3-6H,1-2H3;1-3H,9H2
InChIKeyQLJOQUMLBCXKRM-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloroaniline;1,2-xylene?
The IUPAC name of 3,4-dichloroaniline;1,2-xylene (CID 174872012) is 3,4-dichloroaniline;1,2-xylene.
What is the SMILES notation for 3,4-dichloroaniline;1,2-xylene?
The canonical SMILES for 3,4-dichloroaniline;1,2-xylene is Cc1ccccc1C.Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloroaniline;1,2-xylene?
The InChIKey is QLJOQUMLBCXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H5Cl2N/c1-7-5-3-4-6-8(7)2;7-5-2-1-4(9)3-6(5)8/h3-6H,1-2H3;1-3H,9H2.
What are the key properties of 3,4-dichloroaniline;1,2-xylene?
3,4-dichloroaniline;1,2-xylene has a molecular weight of 268.19 g/mol, XLogP of 4.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloroaniline;1,2-xylene is sourced from PubChem (CID 174872012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).