[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride

C12H12Cl4N2 — CID 139194911

IUPAC[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+]c1ccc(-c2ccc([NH3+])c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
InChIKeyBXAONUZFBUNTQR-UHFFFAOYSA-N
MW326.05 g/mol
LogP-3.58
Rot. Bonds1

About [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride

[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride (PubChem CID 139194911) has the molecular formula C12H12Cl4N2 and a molecular weight of 326.05 g/mol. Its IUPAC name is [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride.

Molecular Properties

Compound Name[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride
PubChem CID139194911
Molecular FormulaC12H12Cl4N2
Molecular Weight326.05 g/mol
Exact Mass323.98
IUPAC Name[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+]c1ccc(-c2ccc([NH3+])c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
InChIKeyBXAONUZFBUNTQR-UHFFFAOYSA-N
XLogP-3.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 5-3.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
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2,2',5,5'-Tetrachlorobenzidine
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2-Chloro-p-toluidine
CID 12007
Benzidine dihydrochloride
CID 10754
4-Amino-4'-chlorodiphenyl
CID 8675
2-Chloro-4-trifluoromethylaniline
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2-Amino-4'-chlorobiphenyl
CID 262261
2,2'-Dichlorobenzidine
CID 66538
Benzidine hydrochloride
CID 61741
3,5-Dichlorobenzidine
CID 124990

Frequently Asked Questions

What is the IUPAC name of [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride?
The IUPAC name of [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride (CID 139194911) is [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride.
What is the SMILES notation for [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride?
The canonical SMILES for [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride is [Cl-].[Cl-].[NH3+]c1ccc(-c2ccc([NH3+])c(Cl)c2)cc1Cl.
What is the InChIKey of [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride?
The InChIKey is BXAONUZFBUNTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H.
What are the key properties of [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride?
[4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride has a molecular weight of 326.05 g/mol, XLogP of -3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-azaniumyl-3-chlorophenyl)-2-chlorophenyl]azanium dichloride is sourced from PubChem (CID 139194911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).