azanylidyneazanium;1-chloro-3-methylbenzene;chloride

C7H8Cl2N2 — CID 22991742

IUPACazanylidyneazanium;1-chloro-3-methylbenzene;chloride
SMILESCc1cccc(Cl)c1.N#[NH+].[Cl-]
InChIInChI=1S/C7H7Cl.ClH.N2/c1-6-3-2-4-7(8)5-6;;1-2/h2-5H,1H3;1H;
InChIKeyVDZDVZCVRMBEBH-UHFFFAOYSA-N
MW191.06 g/mol
LogP-2.07
Rot. Bonds

About azanylidyneazanium;1-chloro-3-methylbenzene;chloride

azanylidyneazanium;1-chloro-3-methylbenzene;chloride (PubChem CID 22991742) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is azanylidyneazanium;1-chloro-3-methylbenzene;chloride.

Molecular Properties

Compound Nameazanylidyneazanium;1-chloro-3-methylbenzene;chloride
PubChem CID22991742
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Nameazanylidyneazanium;1-chloro-3-methylbenzene;chloride
SMILESCc1cccc(Cl)c1.N#[NH+].[Cl-]
InChIInChI=1S/C7H7Cl.ClH.N2/c1-6-3-2-4-7(8)5-6;;1-2/h2-5H,1H3;1H;
InChIKeyVDZDVZCVRMBEBH-UHFFFAOYSA-N
XLogP-2.07
TPSA47.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;1-chloro-3-methylbenzene;chloride?
The IUPAC name of azanylidyneazanium;1-chloro-3-methylbenzene;chloride (CID 22991742) is azanylidyneazanium;1-chloro-3-methylbenzene;chloride.
What is the SMILES notation for azanylidyneazanium;1-chloro-3-methylbenzene;chloride?
The canonical SMILES for azanylidyneazanium;1-chloro-3-methylbenzene;chloride is Cc1cccc(Cl)c1.N#[NH+].[Cl-].
What is the InChIKey of azanylidyneazanium;1-chloro-3-methylbenzene;chloride?
The InChIKey is VDZDVZCVRMBEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.ClH.N2/c1-6-3-2-4-7(8)5-6;;1-2/h2-5H,1H3;1H;.
What are the key properties of azanylidyneazanium;1-chloro-3-methylbenzene;chloride?
azanylidyneazanium;1-chloro-3-methylbenzene;chloride has a molecular weight of 191.06 g/mol, XLogP of -2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;1-chloro-3-methylbenzene;chloride is sourced from PubChem (CID 22991742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).